7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one

C20H17ClN2O2 — CID 43860284

IUPAC7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
SMILESCc1c(Cl)ccc2c(=O)c(C(=O)N3CCCc4ccccc43)c[nH]c12
InChIInChI=1S/C20H17ClN2O2/c1-12-16(21)9-8-14-18(12)22-11-15(19(14)24)20(25)23-10-4-6-13-5-2-3-7-17(13)23/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,24)
InChIKeyUYUYRCREKYAWLQ-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.08
Rot. Bonds1

About 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one

7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one (PubChem CID 43860284) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
PubChem CID43860284
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
SMILESCc1c(Cl)ccc2c(=O)c(C(=O)N3CCCc4ccccc43)c[nH]c12
InChIInChI=1S/C20H17ClN2O2/c1-12-16(21)9-8-14-18(12)22-11-15(19(14)24)20(25)23-10-4-6-13-5-2-3-7-17(13)23/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,24)
InChIKeyUYUYRCREKYAWLQ-UHFFFAOYSA-N
XLogP4.08
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
CID 43831927
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 3236506
3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone
CID 113206780

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one (CID 43860284) is 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one is Cc1c(Cl)ccc2c(=O)c(C(=O)N3CCCc4ccccc43)c[nH]c12.
What is the InChIKey of 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one?
The InChIKey is UYUYRCREKYAWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-16(21)9-8-14-18(12)22-11-15(19(14)24)20(25)23-10-4-6-13-5-2-3-7-17(13)23/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,24).
What are the key properties of 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one?
7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one has a molecular weight of 352.82 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 43860284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).