8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one

C20H17ClN2O2 — CID 43831927

IUPAC8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
SMILESCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C20H17ClN2O2/c1-22-12-15(19(24)14-8-4-9-16(21)18(14)22)20(25)23-11-5-7-13-6-2-3-10-17(13)23/h2-4,6,8-10,12H,5,7,11H2,1H3
InChIKeyZBEPAGJFEJTYJJ-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.78
Rot. Bonds1

About 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one

8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one (PubChem CID 43831927) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
PubChem CID43831927
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
SMILESCn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C20H17ClN2O2/c1-22-12-15(19(24)14-8-4-9-16(21)18(14)22)20(25)23-11-5-7-13-6-2-3-10-17(13)23/h2-4,6,8-10,12H,5,7,11H2,1H3
InChIKeyZBEPAGJFEJTYJJ-UHFFFAOYSA-N
XLogP3.78
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 43860284
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
CID 39851032
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
methyl (2R)-4-(4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100769319
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraen-4-one
CID 30132708
3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 6625642

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one?
The IUPAC name of 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one (CID 43831927) is 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one.
What is the SMILES notation for 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one?
The canonical SMILES for 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one is Cn1cc(C(=O)N2CCCc3ccccc32)c(=O)c2cccc(Cl)c21.
What is the InChIKey of 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one?
The InChIKey is ZBEPAGJFEJTYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-22-12-15(19(24)14-8-4-9-16(21)18(14)22)20(25)23-11-5-7-13-6-2-3-10-17(13)23/h2-4,6,8-10,12H,5,7,11H2,1H3.
What are the key properties of 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one?
8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one has a molecular weight of 352.82 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one is sourced from PubChem (CID 43831927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).