ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate

C20H26N2O3S — CID 133338071

IUPACethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C20H26N2O3S/c1-3-25-20(23)17-13-21-18-11-6-5-10-16(18)19(17)22-14-8-7-9-15(12-14)26(24)4-2/h5-6,10-11,13-15H,3-4,7-9,12H2,1-2H3,(H,21,22)
InChIKeyXUXKVILOZNGNNZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.90
Rot. Bonds6

About ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate

ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate (PubChem CID 133338071) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
PubChem CID133338071
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Nameethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C20H26N2O3S/c1-3-25-20(23)17-13-21-18-11-6-5-10-16(18)19(17)22-14-8-7-9-15(12-14)26(24)4-2/h5-6,10-11,13-15H,3-4,7-9,12H2,1-2H3,(H,21,22)
InChIKeyXUXKVILOZNGNNZ-UHFFFAOYSA-N
XLogP3.90
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
CID 64624194
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740
ethyl 4-[[(1S,3S)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 67277237
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
CID 13295816
ethyl 6-bromo-4-[(3-hydroxycyclobutyl)amino]quinoline-3-carboxylate
CID 118503001
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate (CID 133338071) is ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1NC1CCCC(S(=O)CC)C1.
What is the InChIKey of ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate?
The InChIKey is XUXKVILOZNGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-25-20(23)17-13-21-18-11-6-5-10-16(18)19(17)22-14-8-7-9-15(12-14)26(24)4-2/h5-6,10-11,13-15H,3-4,7-9,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate?
ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate has a molecular weight of 374.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 133338071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).