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

C24H27FN4O3S — CID 66978072

IUPACN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc3nc(N4CCCC4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H27FN4O3S/c1-15-12-19(20(25)14-22(15)28-33(3,31)32)16(2)26-24(30)18-6-8-21-17(13-18)7-9-23(27-21)29-10-4-5-11-29/h6-9,12-14,16,28H,4-5,10-11H2,1-3H3,(H,26,30)
InChIKeyLRCPAAHKMROYMS-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.15
Rot. Bonds6

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

N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide (PubChem CID 66978072) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide
PubChem CID66978072
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC NameN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc3nc(N4CCCC4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H27FN4O3S/c1-15-12-19(20(25)14-22(15)28-33(3,31)32)16(2)26-24(30)18-6-8-21-17(13-18)7-9-23(27-21)29-10-4-5-11-29/h6-9,12-14,16,28H,4-5,10-11H2,1-3H3,(H,26,30)
InChIKeyLRCPAAHKMROYMS-UHFFFAOYSA-N
XLogP4.15
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.15
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-[4-(methanesulfonamido)-3-methylphenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224446
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25063560
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(N-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873315
N-[2-[4-[ethyl-[6-fluoro-3-(isopropylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
CID 462984
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxamide
CID 71449290
(2S)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-methylpyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71450023
2-[[2-(4-ethylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 71452903
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-propan-2-ylphenyl)benzoyl]amino]quinoline-6-carboxamide
CID 71452904
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 71458256
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-propylphenyl)benzoyl]amino]quinoline-6-carboxamide
CID 71458257

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide?
The IUPAC name of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide (CID 66978072) is N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide is Cc1cc(C(C)NC(=O)c2ccc3nc(N4CCCC4)ccc3c2)c(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide?
The InChIKey is LRCPAAHKMROYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-15-12-19(20(25)14-22(15)28-33(3,31)32)16(2)26-24(30)18-6-8-21-17(13-18)7-9-23(27-21)29-10-4-5-11-29/h6-9,12-14,16,28H,4-5,10-11H2,1-3H3,(H,26,30).
What are the key properties of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide?
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-pyrrolidin-1-ylquinoline-6-carboxamide is sourced from PubChem (CID 66978072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).