1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one

C20H27NO2 — CID 162652454

IUPAC1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one
SMILESCCCCCC/C=C\CCCc1cc(=O)c2ccccc2n1O
InChIInChI=1S/C20H27NO2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h7-8,11-12,14-16,23H,2-6,9-10,13H2,1H3/b8-7-
InChIKeyRXWKCQWMDSAQBS-FPLPWBNLSA-N
MW313.44 g/mol
LogP5.09
Rot. Bonds9

About 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one

1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one (PubChem CID 162652454) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one.

Molecular Properties

Compound Name1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one
PubChem CID162652454
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one
SMILESCCCCCC/C=C\CCCc1cc(=O)c2ccccc2n1O
InChIInChI=1S/C20H27NO2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h7-8,11-12,14-16,23H,2-6,9-10,13H2,1H3/b8-7-
InChIKeyRXWKCQWMDSAQBS-FPLPWBNLSA-N
XLogP5.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one?
The IUPAC name of 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one (CID 162652454) is 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one.
What is the SMILES notation for 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one?
The canonical SMILES for 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one is CCCCCC/C=C\CCCc1cc(=O)c2ccccc2n1O.
What is the InChIKey of 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one?
The InChIKey is RXWKCQWMDSAQBS-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H27NO2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h7-8,11-12,14-16,23H,2-6,9-10,13H2,1H3/b8-7-.
What are the key properties of 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one?
1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one has a molecular weight of 313.44 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one is sourced from PubChem (CID 162652454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).