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

C21H14N4O3 — CID 155524329

IUPAC3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)
InChIKeyINIHDUJEBIVBBD-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.46
Rot. Bonds4

About 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide

3-nitro-N-(2-phenylquinazolin-4-yl)benzamide (PubChem CID 155524329) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
PubChem CID155524329
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)
InChIKeyINIHDUJEBIVBBD-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

3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
CID 3937825
N-(3-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134201
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
3-nitro-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135519734
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol
CID 137206086
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
The IUPAC name of 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide (CID 155524329) is 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
The canonical SMILES for 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide is O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
The InChIKey is INIHDUJEBIVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26).
What are the key properties of 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide?
3-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 3-nitro-N-(2-phenylquinazolin-4-yl)benzamide is sourced from PubChem (CID 155524329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).