1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one

C21H24N2O3S — CID 110616863

IUPAC1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1
InChIInChI=1S/C21H24N2O3S/c1-16-14-17-6-2-3-7-20(17)23(15-16)27(25,26)19-11-9-18(10-12-19)22-13-5-4-8-21(22)24/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3
InChIKeyNOBHKDQXRBHADH-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.59
Rot. Bonds3

About 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one

1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one (PubChem CID 110616863) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
PubChem CID110616863
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1
InChIInChI=1S/C21H24N2O3S/c1-16-14-17-6-2-3-7-20(17)23(15-16)27(25,26)19-11-9-18(10-12-19)22-13-5-4-8-21(22)24/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3
InChIKeyNOBHKDQXRBHADH-UHFFFAOYSA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
CID 110424808
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
CID 110609322
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 75526468
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110416315
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110301295
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one (CID 110616863) is 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one is CC1Cc2ccccc2N(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1.
What is the InChIKey of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one?
The InChIKey is NOBHKDQXRBHADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-14-17-6-2-3-7-20(17)23(15-16)27(25,26)19-11-9-18(10-12-19)22-13-5-4-8-21(22)24/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3.
What are the key properties of 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one?
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one has a molecular weight of 384.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one is sourced from PubChem (CID 110616863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).