1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide

C21H23N3O3S — CID 138673373

IUPAC1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3C#N)ccc21
InChIInChI=1S/C21H23N3O3S/c1-2-11-24-20-9-7-16(12-17(20)8-10-21(24)25)14-23-28(26,27)15-19-6-4-3-5-18(19)13-22/h3-7,9,12,23H,2,8,10-11,14-15H2,1H3
InChIKeyPXLSLQDUUIISOB-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.87
Rot. Bonds7

About 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide

1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide (PubChem CID 138673373) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
PubChem CID138673373
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3C#N)ccc21
InChIInChI=1S/C21H23N3O3S/c1-2-11-24-20-9-7-16(12-17(20)8-10-21(24)25)14-23-28(26,27)15-19-6-4-3-5-18(19)13-22/h3-7,9,12,23H,2,8,10-11,14-15H2,1H3
InChIKeyPXLSLQDUUIISOB-UHFFFAOYSA-N
XLogP2.87
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide with MolForge

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Related Compounds

Quinabactin
CID 16927350
N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethanesulfonamide
CID 7527006
1-Methanesulfonyl-N-[4-(propan-2-YL)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 7602853
N-[[4-(4-acetylpiperazin-1-yl)-3-cyanophenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659318
6-(4-Methanesulfonylaminophenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile (4m)
CID 126842645
1-methanesulfonyl-N-[2-methyl-6-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 16014715
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)phenyl]-N-methylmethanesulfonamide
CID 951579
2-ethylsulfonyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4538966
N-(2-cyanophenyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide
CID 7527058
1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 118870530
1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 118870536
1-(4-cyclopropylphenyl)-N-(1-ethyl-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 138106706

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide (CID 138673373) is 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide is CCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3C#N)ccc21.
What is the InChIKey of 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The InChIKey is PXLSLQDUUIISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-11-24-20-9-7-16(12-17(20)8-10-21(24)25)14-23-28(26,27)15-19-6-4-3-5-18(19)13-22/h3-7,9,12,23H,2,8,10-11,14-15H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide is sourced from PubChem (CID 138673373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).