cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate

C18H23NO3 — CID 31038327

IUPACcyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
SMILESO=C(CC[C@H]1Cc2ccccc2NC1=O)OC1CCCCC1
InChIInChI=1S/C18H23NO3/c20-17(22-15-7-2-1-3-8-15)11-10-14-12-13-6-4-5-9-16(13)19-18(14)21/h4-6,9,14-15H,1-3,7-8,10-12H2,(H,19,21)/t14-/m0/s1
InChIKeyOJWVHUNOLNXSKL-AWEZNQCLSA-N
MW301.39 g/mol
LogP3.45
Rot. Bonds4

About cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate

cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate (PubChem CID 31038327) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate.

Molecular Properties

Compound Namecyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
PubChem CID31038327
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namecyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
SMILESO=C(CC[C@H]1Cc2ccccc2NC1=O)OC1CCCCC1
InChIInChI=1S/C18H23NO3/c20-17(22-15-7-2-1-3-8-15)11-10-14-12-13-6-4-5-9-16(13)19-18(14)21/h4-6,9,14-15H,1-3,7-8,10-12H2,(H,19,21)/t14-/m0/s1
InChIKeyOJWVHUNOLNXSKL-AWEZNQCLSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclohexyloxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143021
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220494
(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 16615487
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220502
(3S)-3-[3-oxo-3-[(2S)-2-[(1S)-2-oxocyclohexyl]azepan-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 124732266
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 119632117
3-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 47048605
(3S)-3-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903721
(3S)-3-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903723
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
The IUPAC name of cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate (CID 31038327) is cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate.
What is the SMILES notation for cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
The canonical SMILES for cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate is O=C(CC[C@H]1Cc2ccccc2NC1=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
The InChIKey is OJWVHUNOLNXSKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(22-15-7-2-1-3-8-15)11-10-14-12-13-6-4-5-9-16(13)19-18(14)21/h4-6,9,14-15H,1-3,7-8,10-12H2,(H,19,21)/t14-/m0/s1.
What are the key properties of cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate has a molecular weight of 301.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate is sourced from PubChem (CID 31038327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).