[3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide

C25H21ClN3O4S- — CID 5014369

IUPAC[3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide
SMILESCc1cc(C)cc([N-]S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2)c1
InChIInChI=1S/C25H21ClN3O4S/c1-15-9-16(2)11-18(10-15)29-34(32,33)19-7-8-23-20(12-19)24(30)21(14-27-23)25(31)28-13-17-5-3-4-6-22(17)26/h3-12,14H,13H2,1-2H3,(H2,27,28,30,31)/q-1
InChIKeyWNSCIOBORCKWIS-UHFFFAOYSA-N
MW494.98 g/mol
LogP5.12
Rot. Bonds6

About [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide

[3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide (PubChem CID 5014369) has the molecular formula C25H21ClN3O4S- and a molecular weight of 494.98 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide
PubChem CID5014369
Molecular FormulaC25H21ClN3O4S-
Molecular Weight494.98 g/mol
Exact Mass494.09
IUPAC Name[3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide
SMILESCc1cc(C)cc([N-]S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2)c1
InChIInChI=1S/C25H21ClN3O4S/c1-15-9-16(2)11-18(10-15)29-34(32,33)19-7-8-23-20(12-19)24(30)21(14-27-23)25(31)28-13-17-5-3-4-6-22(17)26/h3-12,14H,13H2,1-2H3,(H2,27,28,30,31)/q-1
InChIKeyWNSCIOBORCKWIS-UHFFFAOYSA-N
XLogP5.12
TPSA110.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.98
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15993696
6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4100412
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
CID 15990667
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide?
The IUPAC name of [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide (CID 5014369) is [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide.
What is the SMILES notation for [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide?
The canonical SMILES for [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide is Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2)c1.
What is the InChIKey of [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide?
The InChIKey is WNSCIOBORCKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN3O4S/c1-15-9-16(2)11-18(10-15)29-34(32,33)19-7-8-23-20(12-19)24(30)21(14-27-23)25(31)28-13-17-5-3-4-6-22(17)26/h3-12,14H,13H2,1-2H3,(H2,27,28,30,31)/q-1.
What are the key properties of [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide?
[3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide has a molecular weight of 494.98 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(3,5-dimethylphenyl)azanide is sourced from PubChem (CID 5014369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).