N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide

C19H17N3O4S — CID 95119585

IUPACN-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc2cccc(O)c2n1
InChIInChI=1S/C19H17N3O4S/c1-27(25,26)22-12-6-7-13-14(10-18(24)20-16(13)9-12)15-8-5-11-3-2-4-17(23)19(11)21-15/h2-9,14,22-23H,10H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyPSAHTYCLCNXQPU-CQSZACIVSA-N
MW383.43 g/mol
LogP2.79
Rot. Bonds3

About N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide

N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide (PubChem CID 95119585) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
PubChem CID95119585
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc2cccc(O)c2n1
InChIInChI=1S/C19H17N3O4S/c1-27(25,26)22-12-6-7-13-14(10-18(24)20-16(13)9-12)15-8-5-11-3-2-4-17(23)19(11)21-15/h2-9,14,22-23H,10H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyPSAHTYCLCNXQPU-CQSZACIVSA-N
XLogP2.79
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 95147338
7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
CID 171912866
7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline
CID 169410481
7-(dimethylsulfamoylamino)-4-(3-methylimidazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline
CID 169414839
4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline
CID 171388900
methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95132831
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
CID 174269520
N-[4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
CID 169413733
N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide
CID 154691321
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide
CID 50963632

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide (CID 95119585) is N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc2cccc(O)c2n1.
What is the InChIKey of N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
The InChIKey is PSAHTYCLCNXQPU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-27(25,26)22-12-6-7-13-14(10-18(24)20-16(13)9-12)15-8-5-11-3-2-4-17(23)19(11)21-15/h2-9,14,22-23H,10H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 95119585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).