N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide

C28H21ClN4O — CID 140595625

IUPACN-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
SMILESCc1cc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C28H21ClN4O/c1-18-16-22(13-15-24(18)31-27(34)20-10-6-3-7-11-20)30-28-32-25-14-12-21(29)17-23(25)26(33-28)19-8-4-2-5-9-19/h2-17H,1H3,(H,31,34)(H,30,32,33)
InChIKeyCYUBELMJGKCPSA-UHFFFAOYSA-N
MW464.96 g/mol
LogP7.25
Rot. Bonds5

About N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide

N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide (PubChem CID 140595625) has the molecular formula C28H21ClN4O and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
PubChem CID140595625
Molecular FormulaC28H21ClN4O
Molecular Weight464.96 g/mol
Exact Mass464.14
IUPAC NameN-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
SMILESCc1cc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C28H21ClN4O/c1-18-16-22(13-15-24(18)31-27(34)20-10-6-3-7-11-20)30-28-32-25-14-12-21(29)17-23(25)26(33-28)19-8-4-2-5-9-19/h2-17H,1H3,(H,31,34)(H,30,32,33)
InChIKeyCYUBELMJGKCPSA-UHFFFAOYSA-N
XLogP7.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.96
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
CID 3393885
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
CID 90254100
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
[2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-5-nitrophenyl]-phenylmethanone
CID 23735046
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(4-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288080
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide (CID 140595625) is N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide is Cc1cc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide?
The InChIKey is CYUBELMJGKCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O/c1-18-16-22(13-15-24(18)31-27(34)20-10-6-3-7-11-20)30-28-32-25-14-12-21(29)17-23(25)26(33-28)19-8-4-2-5-9-19/h2-17H,1H3,(H,31,34)(H,30,32,33).
What are the key properties of N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide?
N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide has a molecular weight of 464.96 g/mol, XLogP of 7.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 140595625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).