N-(4-methylphenyl)-6-nitroquinazolin-4-amine

C15H12N4O2 — CID 127027330

IUPACN-(4-methylphenyl)-6-nitroquinazolin-4-amine
SMILESCc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C15H12N4O2/c1-10-2-4-11(5-3-10)18-15-13-8-12(19(20)21)6-7-14(13)16-9-17-15/h2-9H,1H3,(H,16,17,18)
InChIKeyILFAVOGAJFOUAL-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.59
Rot. Bonds3

About N-(4-methylphenyl)-6-nitroquinazolin-4-amine

N-(4-methylphenyl)-6-nitroquinazolin-4-amine (PubChem CID 127027330) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-nitroquinazolin-4-amine
PubChem CID127027330
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(4-methylphenyl)-6-nitroquinazolin-4-amine
SMILESCc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C15H12N4O2/c1-10-2-4-11(5-3-10)18-15-13-8-12(19(20)21)6-7-14(13)16-9-17-15/h2-9H,1H3,(H,16,17,18)
InChIKeyILFAVOGAJFOUAL-UHFFFAOYSA-N
XLogP3.59
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)-6-nitroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431934
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
2-[(6-methylquinazolin-4-yl)amino]-4-nitrophenol
CID 21002451
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-(1-methylpyrazol-3-yl)-6-nitroquinazolin-4-amine
CID 79781354
N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
CID 71470924
2-amino-N-[4-[(6-nitroquinazolin-4-yl)amino]phenyl]-N-propylpentanamide
CID 174785088
N-(4-bromo-2-fluorophenyl)-6-nitroquinazolin-4-amine
CID 135066898
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 144711397
ethane;N-[4-[(6-ethenyl-3-pyridinyl)oxy]-3-methylphenyl]-6-nitroquinazolin-4-amine
CID 162431536

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-nitroquinazolin-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-nitroquinazolin-4-amine (CID 127027330) is N-(4-methylphenyl)-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-nitroquinazolin-4-amine is Cc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-nitroquinazolin-4-amine?
The InChIKey is ILFAVOGAJFOUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-2-4-11(5-3-10)18-15-13-8-12(19(20)21)6-7-14(13)16-9-17-15/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(4-methylphenyl)-6-nitroquinazolin-4-amine?
N-(4-methylphenyl)-6-nitroquinazolin-4-amine has a molecular weight of 280.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 127027330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).