N-(6-chloro-4-phenylquinolin-3-yl)acetamide

C17H13ClN2O — CID 10424681

IUPACN-(6-chloro-4-phenylquinolin-3-yl)acetamide
SMILESCC(=O)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H13ClN2O/c1-11(21)20-16-10-19-15-8-7-13(18)9-14(15)17(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyBKZJWWBIJSAEPR-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.51
Rot. Bonds2

About N-(6-chloro-4-phenylquinolin-3-yl)acetamide

N-(6-chloro-4-phenylquinolin-3-yl)acetamide (PubChem CID 10424681) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(6-chloro-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-4-phenylquinolin-3-yl)acetamide
PubChem CID10424681
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-(6-chloro-4-phenylquinolin-3-yl)acetamide
SMILESCC(=O)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H13ClN2O/c1-11(21)20-16-10-19-15-8-7-13(18)9-14(15)17(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyBKZJWWBIJSAEPR-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-4-phenylquinolin-3-yl)-2-phenylacetamide
CID 54395072
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
CID 22403898
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
CID 10045848
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
(E)-4-(6-chloro-4-phenylcinnolin-3-yl)but-3-en-2-one
CID 154700727
1-[6-chloro-4-(2-methylphenyl)quinolin-3-yl]-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea
CID 23355176

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-(6-chloro-4-phenylquinolin-3-yl)acetamide (CID 10424681) is N-(6-chloro-4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-(6-chloro-4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-(6-chloro-4-phenylquinolin-3-yl)acetamide is CC(=O)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of N-(6-chloro-4-phenylquinolin-3-yl)acetamide?
The InChIKey is BKZJWWBIJSAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11(21)20-16-10-19-15-8-7-13(18)9-14(15)17(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21).
What are the key properties of N-(6-chloro-4-phenylquinolin-3-yl)acetamide?
N-(6-chloro-4-phenylquinolin-3-yl)acetamide has a molecular weight of 296.76 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 10424681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).