3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

C19H19FN4O5S — CID 18268723

IUPAC3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C19H19FN4O5S/c1-24(2)30(28,29)13-5-3-4-11(8-13)18(26)22-23-19(27)15-10-17(25)21-16-9-12(20)6-7-14(15)16/h3-9,15H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyMDDYKXPGWXAYQR-UHFFFAOYSA-N
MW434.45 g/mol
LogP0.96
Rot. Bonds4

About 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 18268723) has the molecular formula C19H19FN4O5S and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
PubChem CID18268723
Molecular FormulaC19H19FN4O5S
Molecular Weight434.45 g/mol
Exact Mass434.11
IUPAC Name3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C19H19FN4O5S/c1-24(2)30(28,29)13-5-3-4-11(8-13)18(26)22-23-19(27)15-10-17(25)21-16-9-12(20)6-7-14(15)16/h3-9,15H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyMDDYKXPGWXAYQR-UHFFFAOYSA-N
XLogP0.96
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930654
N-[3-(tert-butylsulfamoyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535272
3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 8880057
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9085488
7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131950953
3-[(cyclohex-3-ene-1-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43001615
3-[[[2-(2,4-difluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31896214
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110883093
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119522411

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (CID 18268723) is 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC(=O)Nc3cc(F)ccc32)c1.
What is the InChIKey of 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MDDYKXPGWXAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O5S/c1-24(2)30(28,29)13-5-3-4-11(8-13)18(26)22-23-19(27)15-10-17(25)21-16-9-12(20)6-7-14(15)16/h3-9,15H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 434.45 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 18268723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).