6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide

C19H23N3O3S — CID 44634848

IUPAC6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2N(C)C)CCC(=O)N3)cc1C
InChIInChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-11-16-14(6-8-19(23)20-16)10-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23)
InChIKeyPNUCPERAJKCNDW-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.05
Rot. Bonds4

About 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide

6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide (PubChem CID 44634848) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
PubChem CID44634848
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2N(C)C)CCC(=O)N3)cc1C
InChIInChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-11-16-14(6-8-19(23)20-16)10-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23)
InChIKeyPNUCPERAJKCNDW-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
The IUPAC name of 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide (CID 44634848) is 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide.
What is the SMILES notation for 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
The canonical SMILES for 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3c(cc2N(C)C)CCC(=O)N3)cc1C.
What is the InChIKey of 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
The InChIKey is PNUCPERAJKCNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-11-16-14(6-8-19(23)20-16)10-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23).
What are the key properties of 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide is sourced from PubChem (CID 44634848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).