5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one

C22H21ClN2O — CID 71426572

IUPAC5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one
SMILESCCCC1(C)Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C22H21ClN2O/c1-3-11-22(2)13-17-18(23)8-6-10-20(17)25(21(22)26)16-12-15-7-4-5-9-19(15)24-14-16/h4-10,12,14H,3,11,13H2,1-2H3
InChIKeyXKTGRVAODRSNCV-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.92
Rot. Bonds3

About 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one

5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one (PubChem CID 71426572) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one
PubChem CID71426572
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one
SMILESCCCC1(C)Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C22H21ClN2O/c1-3-11-22(2)13-17-18(23)8-6-10-20(17)25(21(22)26)16-12-15-7-4-5-9-19(15)24-14-16/h4-10,12,14H,3,11,13H2,1-2H3
InChIKeyXKTGRVAODRSNCV-UHFFFAOYSA-N
XLogP5.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one
CID 71426575
3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
CID 71426612
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
CID 71426559
1'-(1H-imidazol-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
CID 173082540
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
CID 55115356
3-(2-propylimidazol-1-yl)quinoline
CID 50972942
2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
CID 23160849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one?
The IUPAC name of 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one (CID 71426572) is 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one.
What is the SMILES notation for 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one?
The canonical SMILES for 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one is CCCC1(C)Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O.
What is the InChIKey of 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one?
The InChIKey is XKTGRVAODRSNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-3-11-22(2)13-17-18(23)8-6-10-20(17)25(21(22)26)16-12-15-7-4-5-9-19(15)24-14-16/h4-10,12,14H,3,11,13H2,1-2H3.
What are the key properties of 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one?
5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one has a molecular weight of 364.88 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one is sourced from PubChem (CID 71426572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).