N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide

C20H22FN3O4S — CID 55731159

IUPACN,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1
InChIInChI=1S/C20H22FN3O4S/c1-3-24(4-2)20(26)13-5-8-15(9-6-13)23-29(27,28)18-11-14-7-10-19(25)22-17(14)12-16(18)21/h5-6,8-9,11-12,23H,3-4,7,10H2,1-2H3,(H,22,25)
InChIKeyWLHDDSFVRMPQPY-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.99
Rot. Bonds6

About N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide

N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide (PubChem CID 55731159) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
PubChem CID55731159
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1
InChIInChI=1S/C20H22FN3O4S/c1-3-24(4-2)20(26)13-5-8-15(9-6-13)23-29(27,28)18-11-14-7-10-19(25)22-17(14)12-16(18)21/h5-6,8-9,11-12,23H,3-4,7,10H2,1-2H3,(H,22,25)
InChIKeyWLHDDSFVRMPQPY-UHFFFAOYSA-N
XLogP2.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586489
N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55896457
N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46925987
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55871143
7-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55895424
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
7-fluoro-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55731030
1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
CID 166191874
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate
CID 55905067
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18115743
7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146143545

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide (CID 55731159) is N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1.
What is the InChIKey of N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
The InChIKey is WLHDDSFVRMPQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-3-24(4-2)20(26)13-5-8-15(9-6-13)23-29(27,28)18-11-14-7-10-19(25)22-17(14)12-16(18)21/h5-6,8-9,11-12,23H,3-4,7,10H2,1-2H3,(H,22,25).
What are the key properties of N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide has a molecular weight of 419.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 55731159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).