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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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).