3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one

C20H27NO2 — CID 67860580

IUPAC3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one
SMILESCCCCCCC=CC(O)CCc1c[nH]c2ccccc2c1=O
InChIInChI=1S/C20H27NO2/c1-2-3-4-5-6-7-10-17(22)14-13-16-15-21-19-12-9-8-11-18(19)20(16)23/h7-12,15,17,22H,2-6,13-14H2,1H3,(H,21,23)
InChIKeyDZIPCKDGPMZWDC-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.35
Rot. Bonds9

About 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one

3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one (PubChem CID 67860580) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one
PubChem CID67860580
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one
SMILESCCCCCCC=CC(O)CCc1c[nH]c2ccccc2c1=O
InChIInChI=1S/C20H27NO2/c1-2-3-4-5-6-7-10-17(22)14-13-16-15-21-19-12-9-8-11-18(19)20(16)23/h7-12,15,17,22H,2-6,13-14H2,1H3,(H,21,23)
InChIKeyDZIPCKDGPMZWDC-UHFFFAOYSA-N
XLogP4.35
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1H-quinolin-4-one
CID 10374897
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
(2S)-3-(1H-indol-3-yl)-2-[[(Z)-pentadec-9-enoyl]amino]propanoic acid
CID 171117057
(2S)-2-[[(Z)-icos-11-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 171117064
(E)-1-(1H-indol-3-yl)non-2-en-1-one
CID 22400476
(E)-1-(1H-indol-3-yl)dec-2-en-1-one
CID 22400542
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
3-(1H-indol-3-yl)-2-(octadeca-9,12-dienoylamino)propanoic acid
CID 54399451
3-heptyl-1H-indole
CID 15360907
ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enyl]amino]propanoate
CID 69424703
henicos-7-en-6-ol
CID 91409967
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one?
The IUPAC name of 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one (CID 67860580) is 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one?
The canonical SMILES for 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one is CCCCCCC=CC(O)CCc1c[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one?
The InChIKey is DZIPCKDGPMZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-2-3-4-5-6-7-10-17(22)14-13-16-15-21-19-12-9-8-11-18(19)20(16)23/h7-12,15,17,22H,2-6,13-14H2,1H3,(H,21,23).
What are the key properties of 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one?
3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one has a molecular weight of 313.44 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one is sourced from PubChem (CID 67860580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).