4-nitro-N-(2-phenylquinazolin-4-yl)benzamide

C21H14N4O3 — CID 155561896

IUPAC4-nitro-N-(2-phenylquinazolin-4-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H14N4O3/c26-21(15-10-12-16(13-11-15)25(27)28)24-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24,26)
InChIKeyXBJOUPFIBJIIBB-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.46
Rot. Bonds4

About 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide

4-nitro-N-(2-phenylquinazolin-4-yl)benzamide (PubChem CID 155561896) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(2-phenylquinazolin-4-yl)benzamide
PubChem CID155561896
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name4-nitro-N-(2-phenylquinazolin-4-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H14N4O3/c26-21(15-10-12-16(13-11-15)25(27)28)24-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24,26)
InChIKeyXBJOUPFIBJIIBB-UHFFFAOYSA-N
XLogP4.46
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.46
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'}

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Related Compounds

Bms-833923
CID 57662985
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
N-(2-quinolinyl)benzamide
CID 2812454
2-[(4,6-Dimethyl-2-quinazolinyl)amino]-4(1H)-quinazolinone
CID 135452104
Benzamide, N-(2-methyl-6-pyridyl)-p-nitro-
CID 216673
4-{[2-(4-Nitrophenyl)quinazolin-4-yl]amino}benzoic acid
CID 1187249
N-benzyl-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187251
4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide
CID 3234748
N-[4-({[2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 25025909
N-[4-({[2-(Methylamino)quinazolin-4-yl]amino}methyl)phenyl]biphenyl-4-carboxamide
CID 25025911

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
The IUPAC name of 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide (CID 155561896) is 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
The canonical SMILES for 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide is O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
The InChIKey is XBJOUPFIBJIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c26-21(15-10-12-16(13-11-15)25(27)28)24-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24,26).
What are the key properties of 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
4-nitro-N-(2-phenylquinazolin-4-yl)benzamide has a molecular weight of 370.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-phenylquinazolin-4-yl)benzamide is sourced from PubChem (CID 155561896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).