[2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate

C19H22N2O3 — CID 2355344

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C19H22N2O3/c1-21(15-8-3-2-4-9-15)18(22)13-24-19(23)17-12-11-14-7-5-6-10-16(14)20-17/h5-7,10-12,15H,2-4,8-9,13H2,1H3
InChIKeyVMGKYQRIZYPCLE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2355344) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2355344
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C19H22N2O3/c1-21(15-8-3-2-4-9-15)18(22)13-24-19(23)17-12-11-14-7-5-6-10-16(14)20-17/h5-7,10-12,15H,2-4,8-9,13H2,1H3
InChIKeyVMGKYQRIZYPCLE-UHFFFAOYSA-N
XLogP3.18
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

SB 218795
CID 6604858
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(2-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2343068
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2347318
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3442697

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate (CID 2355344) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate is CN(C(=O)COC(=O)c1ccc2ccccc2n1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is VMGKYQRIZYPCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(15-8-3-2-4-9-15)18(22)13-24-19(23)17-12-11-14-7-5-6-10-16(14)20-17/h5-7,10-12,15H,2-4,8-9,13H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2355344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).