6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline

C20H12ClN3O2 — CID 15566178

IUPAC6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H12ClN3O2/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)23-20(22-18)14-6-9-16(10-7-14)24(25)26/h1-12H
InChIKeyOQRGAYNACRWMNP-UHFFFAOYSA-N
MW361.79 g/mol
LogP5.53
Rot. Bonds3

About 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline

6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline (PubChem CID 15566178) has the molecular formula C20H12ClN3O2 and a molecular weight of 361.79 g/mol. Its IUPAC name is 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
PubChem CID15566178
Molecular FormulaC20H12ClN3O2
Molecular Weight361.79 g/mol
Exact Mass361.06
IUPAC Name6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H12ClN3O2/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)23-20(22-18)14-6-9-16(10-7-14)24(25)26/h1-12H
InChIKeyOQRGAYNACRWMNP-UHFFFAOYSA-N
XLogP5.53
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.79
LogP ≤ 55.53
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-[(6-chloro-4-phenylquinazolin-2-yl)amino]-5-nitrophenyl]-phenylmethanone
CID 23735046
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
4-(2,4-dinitrophenyl)-2-phenylquinazoline
CID 3744800
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130
2-chloro-5-(4-nitrophenoxy)-4,6-diphenylpyrimidine
CID 2053817
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine
CID 66704005
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 94848933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline (CID 15566178) is 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline is O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline?
The InChIKey is OQRGAYNACRWMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O2/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)23-20(22-18)14-6-9-16(10-7-14)24(25)26/h1-12H.
What are the key properties of 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline?
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline has a molecular weight of 361.79 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline is sourced from PubChem (CID 15566178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).