1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone

C26H20Cl3NO — CID 146169367

IUPAC1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2cc(Cl)ccc2c1-c1ccccc1CCc1c(Cl)cccc1Cl
InChIInChI=1S/C26H20Cl3NO/c1-15-25(16(2)31)26(21-13-11-18(27)14-24(21)30-15)19-7-4-3-6-17(19)10-12-20-22(28)8-5-9-23(20)29/h3-9,11,13-14H,10,12H2,1-2H3
InChIKeyIHBCPRIBGJXREV-UHFFFAOYSA-N
MW468.81 g/mol
LogP8.16
Rot. Bonds5

About 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone

1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone (PubChem CID 146169367) has the molecular formula C26H20Cl3NO and a molecular weight of 468.81 g/mol. Its IUPAC name is 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone
PubChem CID146169367
Molecular FormulaC26H20Cl3NO
Molecular Weight468.81 g/mol
Exact Mass467.06
IUPAC Name1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2cc(Cl)ccc2c1-c1ccccc1CCc1c(Cl)cccc1Cl
InChIInChI=1S/C26H20Cl3NO/c1-15-25(16(2)31)26(21-13-11-18(27)14-24(21)30-15)19-7-4-3-6-17(19)10-12-20-22(28)8-5-9-23(20)29/h3-9,11,13-14H,10,12H2,1-2H3
InChIKeyIHBCPRIBGJXREV-UHFFFAOYSA-N
XLogP8.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
CID 146169361
1-[7-fluoro-2-methyl-4-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]quinolin-3-yl]ethanone
CID 146169360
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 4787383
CID 71551498
CID 71551498
3-chloro-6-methylphenanthridine
CID 22482295
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone
CID 46238176
1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone
CID 162401183

Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone?
The IUPAC name of 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone (CID 146169367) is 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone is CC(=O)c1c(C)nc2cc(Cl)ccc2c1-c1ccccc1CCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone?
The InChIKey is IHBCPRIBGJXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3NO/c1-15-25(16(2)31)26(21-13-11-18(27)14-24(21)30-15)19-7-4-3-6-17(19)10-12-20-22(28)8-5-9-23(20)29/h3-9,11,13-14H,10,12H2,1-2H3.
What are the key properties of 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone?
1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone has a molecular weight of 468.81 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-4-[2-[2-(2,6-dichlorophenyl)ethyl]phenyl]-2-methylquinolin-3-yl]ethanone is sourced from PubChem (CID 146169367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).