[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide

C18H25N3O4S — CID 158306742

IUPAC[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
SMILESCOc1cc2nccc(NC3CCC(CS(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C18H25N3O4S/c1-24-17-9-14-15(7-8-20-16(14)10-18(17)25-2)21-13-5-3-12(4-6-13)11-26(19,22)23/h7-10,12-13H,3-6,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyGNECCLLTEBNMNI-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.51
Rot. Bonds6

About [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide

[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide (PubChem CID 158306742) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
PubChem CID158306742
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
SMILESCOc1cc2nccc(NC3CCC(CS(N)(=O)=O)CC3)c2cc1OC
InChIInChI=1S/C18H25N3O4S/c1-24-17-9-14-15(7-8-20-16(14)10-18(17)25-2)21-13-5-3-12(4-6-13)11-26(19,22)23/h7-10,12-13H,3-6,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyGNECCLLTEBNMNI-UHFFFAOYSA-N
XLogP2.51
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide with MolForge

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Related Compounds

6,7-dimethoxy-4-[[4-(sulfinatoamino)cyclohexyl]amino]quinoline
CID 155099947
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
CID 139337026
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide
CID 157237576
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 70199577
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol
CID 167766095
trans-(1S,2S)-2-[(6,7-diethoxyquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495450
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749

Frequently Asked Questions

What is the IUPAC name of [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide?
The IUPAC name of [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide (CID 158306742) is [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide?
The canonical SMILES for [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide is COc1cc2nccc(NC3CCC(CS(N)(=O)=O)CC3)c2cc1OC.
What is the InChIKey of [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide?
The InChIKey is GNECCLLTEBNMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-24-17-9-14-15(7-8-20-16(14)10-18(17)25-2)21-13-5-3-12(4-6-13)11-26(19,22)23/h7-10,12-13H,3-6,11H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide?
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 158306742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).