[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

C22H28N2O4 — CID 37235929

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2nc(C)c(C(=O)OCC(=O)N(C)C3CCC(C)CC3)cc2c1
InChIInChI=1S/C22H28N2O4/c1-14-5-7-17(8-6-14)24(3)21(25)13-28-22(26)19-12-16-11-18(27-4)9-10-20(16)23-15(19)2/h9-12,14,17H,5-8,13H2,1-4H3
InChIKeyFYBPSVCUPWNCDZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.75
Rot. Bonds5

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 37235929) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
PubChem CID37235929
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2nc(C)c(C(=O)OCC(=O)N(C)C3CCC(C)CC3)cc2c1
InChIInChI=1S/C22H28N2O4/c1-14-5-7-17(8-6-14)24(3)21(25)13-28-22(26)19-12-16-11-18(27-4)9-10-20(16)23-15(19)2/h9-12,14,17H,5-8,13H2,1-4H3
InChIKeyFYBPSVCUPWNCDZ-UHFFFAOYSA-N
XLogP3.75
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate with MolForge

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722080
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235447
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8515503
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 30343934
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 41022666
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46538497
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8520315
[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 16576188
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
CID 35418477

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (CID 37235929) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is COc1ccc2nc(C)c(C(=O)OCC(=O)N(C)C3CCC(C)CC3)cc2c1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is FYBPSVCUPWNCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-5-7-17(8-6-14)24(3)21(25)13-28-22(26)19-12-16-11-18(27-4)9-10-20(16)23-15(19)2/h9-12,14,17H,5-8,13H2,1-4H3.
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 37235929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).