4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide

C25H21Cl2FN2O2 — CID 72720562

IUPAC4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide
SMILESCC1(C)Cc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C25H21Cl2FN2O2/c1-25(2)12-16-10-14(17-11-15(23(29)31)6-8-18(17)26)7-9-21(16)30(13-25)24(32)22-19(27)4-3-5-20(22)28/h3-11H,12-13H2,1-2H3,(H2,29,31)
InChIKeyZSMGSVGOQSVDME-UHFFFAOYSA-N
MW471.36 g/mol
LogP6.13
Rot. Bonds3

About 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide

4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide (PubChem CID 72720562) 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)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide
PubChem CID72720562
Molecular FormulaC25H21Cl2FN2O2
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide
SMILESCC1(C)Cc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C25H21Cl2FN2O2/c1-25(2)12-16-10-14(17-11-15(23(29)31)6-8-18(17)26)7-9-21(16)30(13-25)24(32)22-19(27)4-3-5-20(22)28/h3-11H,12-13H2,1-2H3,(H2,29,31)
InChIKeyZSMGSVGOQSVDME-UHFFFAOYSA-N
XLogP6.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.36
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide with MolForge

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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-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
(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
(+/-)-N-(1-(4-chlorobenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 10251489
3-Chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 10548464
3,5-Dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 10741034
1-Acetyl-6-(4-chlorobenzoyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
CID 11224637
5,7-dichloro-3-(4-(diethylamino)phenyl)-3-methylquinoline-2,4(1H,3H)-dione
CID 11574663

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide?
The IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide (CID 72720562) is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide?
The canonical SMILES for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide is CC1(C)Cc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N(C(=O)c2c(F)cccc2Cl)C1.
What is the InChIKey of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide?
The InChIKey is ZSMGSVGOQSVDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN2O2/c1-25(2)12-16-10-14(17-11-15(23(29)31)6-8-18(17)26)7-9-21(16)30(13-25)24(32)22-19(27)4-3-5-20(22)28/h3-11H,12-13H2,1-2H3,(H2,29,31).
What are the key properties of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide?
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide has a molecular weight of 471.36 g/mol, XLogP of 6.13, 3 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)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide is sourced from PubChem (CID 72720562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).