3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide

C27H19BrN4O — CID 4276068

IUPAC3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C27H19BrN4O/c28-20-14-15-24-23(17-20)25(18-8-3-1-4-9-18)32-27(31-24)30-22-13-7-10-19(16-22)26(33)29-21-11-5-2-6-12-21/h1-17H,(H,29,33)(H,30,31,32)
InChIKeyYMUAHANHEQCZJB-UHFFFAOYSA-N
MW495.38 g/mol
LogP7.06
Rot. Bonds5

About 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide

3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide (PubChem CID 4276068) has the molecular formula C27H19BrN4O and a molecular weight of 495.38 g/mol. Its IUPAC name is 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
PubChem CID4276068
Molecular FormulaC27H19BrN4O
Molecular Weight495.38 g/mol
Exact Mass494.07
IUPAC Name3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C27H19BrN4O/c28-20-14-15-24-23(17-20)25(18-8-3-1-4-9-18)32-27(31-24)30-22-13-7-10-19(16-22)26(33)29-21-11-5-2-6-12-21/h1-17H,(H,29,33)(H,30,31,32)
InChIKeyYMUAHANHEQCZJB-UHFFFAOYSA-N
XLogP7.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991
N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
CID 3393885
[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 1116310
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
CID 140595625
6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide
CID 175017048
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide?
The IUPAC name of 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide (CID 4276068) is 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide.
What is the SMILES notation for 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide?
The canonical SMILES for 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide?
The InChIKey is YMUAHANHEQCZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrN4O/c28-20-14-15-24-23(17-20)25(18-8-3-1-4-9-18)32-27(31-24)30-22-13-7-10-19(16-22)26(33)29-21-11-5-2-6-12-21/h1-17H,(H,29,33)(H,30,31,32).
What are the key properties of 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide?
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide has a molecular weight of 495.38 g/mol, XLogP of 7.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide is sourced from PubChem (CID 4276068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).