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

C24H27FN4O4S — CID 66977995

IUPACN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc3nc(N4CCOCC4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H27FN4O4S/c1-15-12-19(20(25)14-22(15)28-34(3,31)32)16(2)26-24(30)18-4-6-21-17(13-18)5-7-23(27-21)29-8-10-33-11-9-29/h4-7,12-14,16,28H,8-11H2,1-3H3,(H,26,30)
InChIKeyXZQUJKBTJJZGKL-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.38
Rot. Bonds6

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

N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide (PubChem CID 66977995) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide
PubChem CID66977995
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC NameN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc3nc(N4CCOCC4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H27FN4O4S/c1-15-12-19(20(25)14-22(15)28-34(3,31)32)16(2)26-24(30)18-4-6-21-17(13-18)5-7-23(27-21)29-8-10-33-11-9-29/h4-7,12-14,16,28H,8-11H2,1-3H3,(H,26,30)
InChIKeyXZQUJKBTJJZGKL-UHFFFAOYSA-N
XLogP3.38
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinoline-6-carboxamide
CID 25008134
6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25008478
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
CID 66978096
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide
CID 67105470
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-(3-hydroxypropylamino)-2-(trifluoromethyl)quinazoline-6-carboxamide
CID 67105702
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-propan-2-ylquinoline-6-carboxamide
CID 74387260
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;4-(4-benzylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinazoline-6-carboxamide;1-[4-(4-benzylpiperidin-1-yl)-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 158699890
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60616711
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
ethyl 4-[6-[1-[4-(ethylsulfonylamino)-2-fluoro-5-methylphenyl]ethylcarbamoyl]-2-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 69091041
2-cyclopropyl-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]quinoline-6-carboxamide
CID 74387381
N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 143579748

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide?
The IUPAC name of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide (CID 66977995) is N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide is Cc1cc(C(C)NC(=O)c2ccc3nc(N4CCOCC4)ccc3c2)c(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide?
The InChIKey is XZQUJKBTJJZGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-15-12-19(20(25)14-22(15)28-34(3,31)32)16(2)26-24(30)18-4-6-21-17(13-18)5-7-23(27-21)29-8-10-33-11-9-29/h4-7,12-14,16,28H,8-11H2,1-3H3,(H,26,30).
What are the key properties of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide?
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide is sourced from PubChem (CID 66977995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).