methyl 3-[(6,7-dimethoxyquinazolin-4-yl)amino]thiophene-2-carboxylate

methyl 3-[(6,7-dimethoxyquinazolin-4-yl)amino]thiophene-2-carboxylate

CAS: 477859-97-5

Formula: C16H15N3O4S

SMILES: COC(=O)C1=C(NC2=NC=NC3=CC(OC)=C(OC)C=C23)C=CS1

IUPAC: methyl 3-[(6,7-dimethoxyquinazolin-4-yl)amino]thiophene-2-carboxylate

InChI: InChI=1S/C16H15N3O4S/c1-21-12-6-9-11(7-13(12)22-2)17-8-18-15(9)19-10-4-5-24-14(10)16(20)23-3/h4-8H,1-3H3,(H,17,18,19)

Composition: C (55.64%), H (4.38%), N (12.17%), O (18.53%), S (9.28%)

Molar Mass: 345.37

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	345.078327149
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	MOCPQOKLNPTXTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.44
Topological Polar Surface Area	82.57
Polarizability	34.92
Ring Count	3
Rotatable Bond Count	6

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