4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide

C25H21Cl2FN2O2 — CID 72720886

IUPAC4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C25H21Cl2FN2O2/c1-2-29-24(31)17-8-10-19(26)18(14-17)15-9-11-22-16(13-15)5-4-12-30(22)25(32)23-20(27)6-3-7-21(23)28/h3,6-11,13-14H,2,4-5,12H2,1H3,(H,29,31)
InChIKeyWGZKXNQOGDECPP-UHFFFAOYSA-N
MW471.36 g/mol
LogP6.14
Rot. Bonds4

About 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide

4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide (PubChem CID 72720886) has the molecular formula C25H21Cl2FN2O2 and a molecular weight of 471.36 g/mol. Its IUPAC name is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide
PubChem CID72720886
Molecular FormulaC25H21Cl2FN2O2
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C25H21Cl2FN2O2/c1-2-29-24(31)17-8-10-19(26)18(14-17)15-9-11-22-16(13-15)5-4-12-30(22)25(32)23-20(27)6-3-7-21(23)28/h3,6-11,13-14H,2,4-5,12H2,1H3,(H,29,31)
InChIKeyWGZKXNQOGDECPP-UHFFFAOYSA-N
XLogP6.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.36
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-3-[1-(2-Chloro-6-Fluorobenzoyl)-1,2,3,4-Tetrahydroquinolin-6-Yl]-N-Methylbenzamide
CID 72720885
4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
CID 142580447
3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]benzamide
CID 44305248
3-chloro-N-[2-(3-methylbenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145964991
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]-3-methylbenzamide
CID 145971330
3-chloro-N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145974504
(2R)-2-[1-(3-chlorobenzoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-(4-fluorophenyl)propanamide
CID 164617677
1-[1-(3-chlorobenzoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 164618349
(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
2-[5-(2-chlorobenzoyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]-N-(2-chlorophenyl)acetamide chloride
CID 16237321
Iqcfwjijlfbefd-uhfffaoysa-
CID 10551016
N-[(2-Chlorophenyl)methyl]-5-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL}pentanamide
CID 15989347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide?
The IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide (CID 72720886) is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide?
The canonical SMILES for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide is CCNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide?
The InChIKey is WGZKXNQOGDECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN2O2/c1-2-29-24(31)17-8-10-19(26)18(14-17)15-9-11-22-16(13-15)5-4-12-30(22)25(32)23-20(27)6-3-7-21(23)28/h3,6-11,13-14H,2,4-5,12H2,1H3,(H,29,31).
What are the key properties of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide?
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide has a molecular weight of 471.36 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide is sourced from PubChem (CID 72720886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).