2-(4-methylphenyl)-6-nitro-4-phenylquinazoline

C21H15N3O2 — CID 102342967

IUPAC2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
SMILESCc1ccc(-c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1
InChIInChI=1S/C21H15N3O2/c1-14-7-9-16(10-8-14)21-22-19-12-11-17(24(25)26)13-18(19)20(23-21)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyOAVVHMCQJPOORJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.18
Rot. Bonds3

About 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline

2-(4-methylphenyl)-6-nitro-4-phenylquinazoline (PubChem CID 102342967) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
PubChem CID102342967
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
SMILESCc1ccc(-c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1
InChIInChI=1S/C21H15N3O2/c1-14-7-9-16(10-8-14)21-22-19-12-11-17(24(25)26)13-18(19)20(23-21)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyOAVVHMCQJPOORJ-UHFFFAOYSA-N
XLogP5.18
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
4-(2,4-dinitrophenyl)-2-phenylquinazoline
CID 3744800
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260
4-methyl-N-[2-[4-(4-nitrophenyl)quinazolin-2-yl]phenyl]benzenesulfonamide
CID 122211920
4-iodo-1-methyl-6-nitro-3-phenylisoquinoline
CID 138974698

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline?
The IUPAC name of 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline (CID 102342967) is 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline.
What is the SMILES notation for 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline?
The canonical SMILES for 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline is Cc1ccc(-c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline?
The InChIKey is OAVVHMCQJPOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-14-7-9-16(10-8-14)21-22-19-12-11-17(24(25)26)13-18(19)20(23-21)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline?
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline has a molecular weight of 341.37 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-nitro-4-phenylquinazoline is sourced from PubChem (CID 102342967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).