[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

C24H26N2O3S — CID 7807519

IUPAC[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2cccs2)nc2ccccc12)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C24H26N2O3S/c1-16(23(27)26(2)17-9-4-3-5-10-17)29-24(28)19-15-21(22-13-8-14-30-22)25-20-12-7-6-11-18(19)20/h6-8,11-17H,3-5,9-10H2,1-2H3/t16-/m1/s1
InChIKeyGDVNLIZHXHOJKW-MRXNPFEDSA-N
MW422.55 g/mol
LogP5.30
Rot. Bonds5

About [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 7807519) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID7807519
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2cccs2)nc2ccccc12)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C24H26N2O3S/c1-16(23(27)26(2)17-9-4-3-5-10-17)29-24(28)19-15-21(22-13-8-14-30-22)25-20-12-7-6-11-18(19)20/h6-8,11-17H,3-5,9-10H2,1-2H3/t16-/m1/s1
InChIKeyGDVNLIZHXHOJKW-MRXNPFEDSA-N
XLogP5.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866894
(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
CID 42915242
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 42894307
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 55314280
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522
[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 94829407
[(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 126187868
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 126179191
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate (CID 7807519) is [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2cccs2)nc2ccccc12)C(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is GDVNLIZHXHOJKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16(23(27)26(2)17-9-4-3-5-10-17)29-24(28)19-15-21(22-13-8-14-30-22)25-20-12-7-6-11-18(19)20/h6-8,11-17H,3-5,9-10H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 422.55 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 7807519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).