4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one

C21H22N2O3S — CID 154845789

IUPAC4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)C3)cc21
InChIInChI=1S/C21H22N2O3S/c1-21(2)13-20(24)22-19-9-8-17(12-18(19)21)27(25,26)23-11-10-16(14-23)15-6-4-3-5-7-15/h3-10,12H,11,13-14H2,1-2H3,(H,22,24)
InChIKeyPQASTOUMTIMDSS-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.39
Rot. Bonds3

About 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one

4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one (PubChem CID 154845789) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one
PubChem CID154845789
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)C3)cc21
InChIInChI=1S/C21H22N2O3S/c1-21(2)13-20(24)22-19-9-8-17(12-18(19)21)27(25,26)23-11-10-16(14-23)15-6-4-3-5-7-15/h3-10,12H,11,13-14H2,1-2H3,(H,22,24)
InChIKeyPQASTOUMTIMDSS-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one with MolForge

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Related Compounds

4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
CID 25104840
7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one
CID 6624112
(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one
CID 98271457
4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
CID 91958530
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033
3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
CID 91938558
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
3-methyl-7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 20935375
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
CID 131637567
4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958453

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one (CID 154845789) is 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)C3)cc21.
What is the InChIKey of 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one?
The InChIKey is PQASTOUMTIMDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-21(2)13-20(24)22-19-9-8-17(12-18(19)21)27(25,26)23-11-10-16(14-23)15-6-4-3-5-7-15/h3-10,12H,11,13-14H2,1-2H3,(H,22,24).
What are the key properties of 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one?
4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one has a molecular weight of 382.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(3-phenyl-2,5-dihydropyrrol-1-yl)sulfonyl]-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 154845789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).