1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one

C26H29NO2 — CID 166542298

IUPAC1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one
SMILESC=CCC(COC1CCC(c2ccccc2)CC1)n1c(=O)ccc2ccccc21
InChIInChI=1S/C26H29NO2/c1-2-8-23(27-25-12-7-6-11-22(25)15-18-26(27)28)19-29-24-16-13-21(14-17-24)20-9-4-3-5-10-20/h2-7,9-12,15,18,21,23-24H,1,8,13-14,16-17,19H2
InChIKeyGEGQGOVFTHPWDF-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.86
Rot. Bonds7

About 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one

1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one (PubChem CID 166542298) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one
PubChem CID166542298
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one
SMILESC=CCC(COC1CCC(c2ccccc2)CC1)n1c(=O)ccc2ccccc21
InChIInChI=1S/C26H29NO2/c1-2-8-23(27-25-12-7-6-11-22(25)15-18-26(27)28)19-29-24-16-13-21(14-17-24)20-9-4-3-5-10-20/h2-7,9-12,15,18,21,23-24H,1,8,13-14,16-17,19H2
InChIKeyGEGQGOVFTHPWDF-UHFFFAOYSA-N
XLogP5.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one?
The IUPAC name of 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one (CID 166542298) is 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one.
What is the SMILES notation for 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one?
The canonical SMILES for 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one is C=CCC(COC1CCC(c2ccccc2)CC1)n1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one?
The InChIKey is GEGQGOVFTHPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-2-8-23(27-25-12-7-6-11-22(25)15-18-26(27)28)19-29-24-16-13-21(14-17-24)20-9-4-3-5-10-20/h2-7,9-12,15,18,21,23-24H,1,8,13-14,16-17,19H2.
What are the key properties of 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one?
1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one has a molecular weight of 387.52 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylcyclohexyl)oxypent-4-en-2-yl]quinolin-2-one is sourced from PubChem (CID 166542298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).