2-methyl-6-nitro-4-phenylquinazoline

C15H11N3O2 — CID 4662097

IUPAC2-methyl-6-nitro-4-phenylquinazoline
SMILESCc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H11N3O2/c1-10-16-14-8-7-12(18(19)20)9-13(14)15(17-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDCDZFMFVNXWRTH-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.51
Rot. Bonds2

About 2-methyl-6-nitro-4-phenylquinazoline

2-methyl-6-nitro-4-phenylquinazoline (PubChem CID 4662097) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-methyl-6-nitro-4-phenylquinazoline.

Molecular Properties

Compound Name2-methyl-6-nitro-4-phenylquinazoline
PubChem CID4662097
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name2-methyl-6-nitro-4-phenylquinazoline
SMILESCc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H11N3O2/c1-10-16-14-8-7-12(18(19)20)9-13(14)15(17-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDCDZFMFVNXWRTH-UHFFFAOYSA-N
XLogP3.51
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.51
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-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
4-iodo-1-methyl-6-nitro-3-phenylisoquinoline
CID 138974698
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
3-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 6426193
4-bromo-6-nitro-3-phenylcinnoline
CID 15194096
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
(3R)-3-[(6-nitro-4-phenylquinazolin-2-yl)amino]-3-phenylpropanoate
CID 2056663
(3S)-3-[(6-nitro-4-phenylquinazolin-2-yl)amino]-3-phenylpropanoic acid
CID 1420256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-4-phenylquinazoline?
The IUPAC name of 2-methyl-6-nitro-4-phenylquinazoline (CID 4662097) is 2-methyl-6-nitro-4-phenylquinazoline.
What is the SMILES notation for 2-methyl-6-nitro-4-phenylquinazoline?
The canonical SMILES for 2-methyl-6-nitro-4-phenylquinazoline is Cc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-methyl-6-nitro-4-phenylquinazoline?
The InChIKey is DCDZFMFVNXWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-10-16-14-8-7-12(18(19)20)9-13(14)15(17-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-methyl-6-nitro-4-phenylquinazoline?
2-methyl-6-nitro-4-phenylquinazoline has a molecular weight of 265.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-4-phenylquinazoline is sourced from PubChem (CID 4662097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).