1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one

C21H22N2O4S — CID 110634929

IUPAC1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(=O)c4cc(C)ccc43)ccc21
InChIInChI=1S/C21H22N2O4S/c1-14-5-7-20-18(12-14)21(25)9-11-23(20)28(26,27)17-6-8-19-16(13-17)4-3-10-22(19)15(2)24/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyQSMWSMGTRSNWRW-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.08
Rot. Bonds2

About 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110634929) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
PubChem CID110634929
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(=O)c4cc(C)ccc43)ccc21
InChIInChI=1S/C21H22N2O4S/c1-14-5-7-20-18(12-14)21(25)9-11-23(20)28(26,27)17-6-8-19-16(13-17)4-3-10-22(19)15(2)24/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyQSMWSMGTRSNWRW-UHFFFAOYSA-N
XLogP3.08
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one with MolForge

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Related Compounds

6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperazine-1-carbaldehyde
CID 113098087
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-[6-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113072690
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-[6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16582502
1-[6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46361608

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one (CID 110634929) is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(=O)c4cc(C)ccc43)ccc21.
What is the InChIKey of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is QSMWSMGTRSNWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-5-7-20-18(12-14)21(25)9-11-23(20)28(26,27)17-6-8-19-16(13-17)4-3-10-22(19)15(2)24/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one?
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 398.48 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).