N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide

C28H22ClN3O — CID 2537871

IUPACN-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide
SMILESCc1cc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C28H22ClN3O/c1-18-17-23(19(2)32(18)31-28(33)21-13-7-4-8-14-21)27-26(29)25(20-11-5-3-6-12-20)22-15-9-10-16-24(22)30-27/h3-17H,1-2H3,(H,31,33)
InChIKeyQHLRCDXFYPWVNL-UHFFFAOYSA-N
MW451.96 g/mol
LogP7.02
Rot. Bonds4

About N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide

N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide (PubChem CID 2537871) has the molecular formula C28H22ClN3O and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide
PubChem CID2537871
Molecular FormulaC28H22ClN3O
Molecular Weight451.96 g/mol
Exact Mass451.15
IUPAC NameN-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide
SMILESCc1cc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C28H22ClN3O/c1-18-17-23(19(2)32(18)31-28(33)21-13-7-4-8-14-21)27-26(29)25(20-11-5-3-6-12-20)22-15-9-10-16-24(22)30-27/h3-17H,1-2H3,(H,31,33)
InChIKeyQHLRCDXFYPWVNL-UHFFFAOYSA-N
XLogP7.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-chloro-2,4-diphenylquinoline
CID 10781654
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide
CID 71891239
N-(2-methylbenzimidazol-1-yl)benzamide
CID 71380365
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
CID 23791833
N-(2,3-dimethylcarbazol-9-yl)benzamide
CID 172560906
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-[3-[(4-bromo-3-chlorophenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 126216983

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide?
The IUPAC name of N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide (CID 2537871) is N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide.
What is the SMILES notation for N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide?
The canonical SMILES for N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide is Cc1cc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(C)n1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide?
The InChIKey is QHLRCDXFYPWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O/c1-18-17-23(19(2)32(18)31-28(33)21-13-7-4-8-14-21)27-26(29)25(20-11-5-3-6-12-20)22-15-9-10-16-24(22)30-27/h3-17H,1-2H3,(H,31,33).
What are the key properties of N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide?
N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide has a molecular weight of 451.96 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-phenylquinolin-2-yl)-2,5-dimethylpyrrol-1-yl]benzamide is sourced from PubChem (CID 2537871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).