2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide

C24H29FN4O3S — CID 66978020

IUPAC2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NC(C)c3cc(C)c(NS(C)(=O)=O)cc3F)ccc2n1
InChIInChI=1S/C24H29FN4O3S/c1-6-29(7-2)23-11-9-17-13-18(8-10-21(17)27-23)24(30)26-16(4)19-12-15(3)22(14-20(19)25)28-33(5,31)32/h8-14,16,28H,6-7H2,1-5H3,(H,26,30)
InChIKeyHLBNOBJINMVRLT-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.39
Rot. Bonds8

About 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide

2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide (PubChem CID 66978020) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide
PubChem CID66978020
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NC(C)c3cc(C)c(NS(C)(=O)=O)cc3F)ccc2n1
InChIInChI=1S/C24H29FN4O3S/c1-6-29(7-2)23-11-9-17-13-18(8-10-21(17)27-23)24(30)26-16(4)19-12-15(3)22(14-20(19)25)28-33(5,31)32/h8-14,16,28H,6-7H2,1-5H3,(H,26,30)
InChIKeyHLBNOBJINMVRLT-UHFFFAOYSA-N
XLogP4.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 11331363
2-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 15603841
N-[[2-(dipropylamino)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16223608
2-[4-(methanesulfonamido)-3-methylphenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224446
2-(3-fluoro-4-methanesulfonamidophenyl)-2-(3-methylphenyl)-N-{[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl}acetamide
CID 25102898
N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873299
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873315
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873319
N-[[2-[butyl(methyl)amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873383
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873427
N-(4-((4-(dimethylamino)quinazolin-2-yl)amino)cyclohexyl)-3,4-difluorobenzamide
CID 9934033
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide (CID 66978020) is 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide is CCN(CC)c1ccc2cc(C(=O)NC(C)c3cc(C)c(NS(C)(=O)=O)cc3F)ccc2n1.
What is the InChIKey of 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide?
The InChIKey is HLBNOBJINMVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-6-29(7-2)23-11-9-17-13-18(8-10-21(17)27-23)24(30)26-16(4)19-12-15(3)22(14-20(19)25)28-33(5,31)32/h8-14,16,28H,6-7H2,1-5H3,(H,26,30).
What are the key properties of 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide?
2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 66978020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).