1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone

C26H22ClNO — CID 146169361

IUPAC1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2cc(Cl)ccc2c1-c1ccccc1CCc1ccccc1
InChIInChI=1S/C26H22ClNO/c1-17-25(18(2)29)26(23-15-14-21(27)16-24(23)28-17)22-11-7-6-10-20(22)13-12-19-8-4-3-5-9-19/h3-11,14-16H,12-13H2,1-2H3
InChIKeyZYTTVLWPLCSHJW-UHFFFAOYSA-N
MW399.92 g/mol
LogP6.85
Rot. Bonds5

About 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone

1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone (PubChem CID 146169361) has the molecular formula C26H22ClNO and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
PubChem CID146169361
Molecular FormulaC26H22ClNO
Molecular Weight399.92 g/mol
Exact Mass399.14
IUPAC Name1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2cc(Cl)ccc2c1-c1ccccc1CCc1ccccc1
InChIInChI=1S/C26H22ClNO/c1-17-25(18(2)29)26(23-15-14-21(27)16-24(23)28-17)22-11-7-6-10-20(22)13-12-19-8-4-3-5-9-19/h3-11,14-16H,12-13H2,1-2H3
InChIKeyZYTTVLWPLCSHJW-UHFFFAOYSA-N
XLogP6.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone
CID 146169367
1-[7-fluoro-2-methyl-4-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]quinolin-3-yl]ethanone
CID 146169360
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 4787383
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone
CID 162401183
3-chloro-6-methylphenanthridine
CID 22482295
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091

Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone?
The IUPAC name of 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone (CID 146169361) is 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone is CC(=O)c1c(C)nc2cc(Cl)ccc2c1-c1ccccc1CCc1ccccc1.
What is the InChIKey of 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone?
The InChIKey is ZYTTVLWPLCSHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO/c1-17-25(18(2)29)26(23-15-14-21(27)16-24(23)28-17)22-11-7-6-10-20(22)13-12-19-8-4-3-5-9-19/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone?
1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone has a molecular weight of 399.92 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone is sourced from PubChem (CID 146169361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).