N-(4-tert-butylphenyl)-6-nitroquinazolin-4-amine

N-(4-tert-butylphenyl)-6-nitroquinazolin-4-amine

CAS: 882083-57-0

Formula: C18H18N4O2

SMILES: CC(C)(C)C1=CC=C(NC2=C3C=C(C=CC3=NC=N2)[N+]([O-])=O)C=C1

IUPAC: N-(4-tert-butylphenyl)-6-nitroquinazolin-4-amine

InChI: InChI=1S/C18H18N4O2/c1-18(2,3)12-4-6-13(7-5-12)21-17-15-10-14(22(23)24)8-9-16(15)19-11-20-17/h4-11H,1-3H3,(H,19,20,21)

Composition: C (67.07%), H (5.63%), N (17.38%), O (9.93%)

Molar Mass: 322.368

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	322.142975836
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VPEQOCRYXNRDDW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.59
Topological Polar Surface Area	80.95
Polarizability	35.93
Ring Count	3
Rotatable Bond Count	4

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