2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate

C23H14Cl2NO2- — CID 8966809

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
SMILESO=C([O-])Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C23H15Cl2NO2/c24-15-10-11-20-17(12-15)22(16-8-4-5-9-19(16)25)18(13-21(27)28)23(26-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,28)/p-1
InChIKeyCBOAXISLBIKPJB-UHFFFAOYSA-M
MW407.28 g/mol
LogP5.17
Rot. Bonds4

About 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate

2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate (PubChem CID 8966809) has the molecular formula C23H14Cl2NO2- and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
PubChem CID8966809
Molecular FormulaC23H14Cl2NO2-
Molecular Weight407.28 g/mol
Exact Mass406.04
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
SMILESO=C([O-])Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C23H15Cl2NO2/c24-15-10-11-20-17(12-15)22(16-8-4-5-9-19(16)25)18(13-21(27)28)23(26-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,28)/p-1
InChIKeyCBOAXISLBIKPJB-UHFFFAOYSA-M
XLogP5.17
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.28
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
CID 8966340
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517
1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 2501340
6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
CID 8966968
2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate
CID 8966277
2,6-dichloro-4-(2-chlorophenyl)quinazoline
CID 13033156
2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
CID 8966267
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate
CID 121005439
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-chloro-4-(2-chlorophenyl)-2,3-dihydrofuro[2,3-b]quinoline
CID 51031204

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate (CID 8966809) is 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate is O=C([O-])Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate?
The InChIKey is CBOAXISLBIKPJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15Cl2NO2/c24-15-10-11-20-17(12-15)22(16-8-4-5-9-19(16)25)18(13-21(27)28)23(26-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,28)/p-1.
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate?
2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate has a molecular weight of 407.28 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate is sourced from PubChem (CID 8966809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).