2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide

C27H34N4O3S — CID 70991243

IUPAC2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
SMILESCNCC1CCC(CNC(=O)c2cc(-c3cccc(CNS(C)(=O)=O)c3)nc3ccccc23)CC1
InChIInChI=1S/C27H34N4O3S/c1-28-16-19-10-12-20(13-11-19)17-29-27(32)24-15-26(31-25-9-4-3-8-23(24)25)22-7-5-6-21(14-22)18-30-35(2,33)34/h3-9,14-15,19-20,28,30H,10-13,16-18H2,1-2H3,(H,29,32)
InChIKeyFJOARFZZMKCDFI-UHFFFAOYSA-N
MW494.66 g/mol
LogP3.71
Rot. Bonds9

About 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide

2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide (PubChem CID 70991243) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
PubChem CID70991243
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
SMILESCNCC1CCC(CNC(=O)c2cc(-c3cccc(CNS(C)(=O)=O)c3)nc3ccccc23)CC1
InChIInChI=1S/C27H34N4O3S/c1-28-16-19-10-12-20(13-11-19)17-29-27(32)24-15-26(31-25-9-4-3-8-23(24)25)22-7-5-6-21(14-22)18-30-35(2,33)34/h3-9,14-15,19-20,28,30H,10-13,16-18H2,1-2H3,(H,29,32)
InChIKeyFJOARFZZMKCDFI-UHFFFAOYSA-N
XLogP3.71
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991240
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[3-[(carbamoylamino)methyl]phenyl]quinoline-4-carboxamide
CID 143825980
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
[4-[[[2-[6-(2-methoxyethylamino)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 69029071
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
CID 69053992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide (CID 70991243) is 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide is CNCC1CCC(CNC(=O)c2cc(-c3cccc(CNS(C)(=O)=O)c3)nc3ccccc23)CC1.
What is the InChIKey of 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
The InChIKey is FJOARFZZMKCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-28-16-19-10-12-20(13-11-19)17-29-27(32)24-15-26(31-25-9-4-3-8-23(24)25)22-7-5-6-21(14-22)18-30-35(2,33)34/h3-9,14-15,19-20,28,30H,10-13,16-18H2,1-2H3,(H,29,32).
What are the key properties of 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide?
2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 70991243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).