7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide

7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide

CAS: 1012054-59-9

Formula: C24H26N4O4

SMILES: COC1=CC2=NC=NC(NC3=CC=CC(=C3)C#C)=C2C=C1OCCCCCCC(=O)NO

IUPAC: 7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide

InChI: InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)

Composition: C (66.34%), H (6.03%), N (12.89%), O (14.73%)

Molar Mass: 434.496

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	434.195405333
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	PLIVFNIUGLLCEK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.63
Topological Polar Surface Area	105.6
Polarizability	47.26
Ring Count	3
Rotatable Bond Count	11

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