4-hydroxy-3-pentyl-1H-quinolin-2-one

C14H17NO2 — CID 54684098

IUPAC4-hydroxy-3-pentyl-1H-quinolin-2-one
SMILESCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H17NO2/c1-2-3-4-8-11-13(16)10-7-5-6-9-12(10)15-14(11)17/h5-7,9H,2-4,8H2,1H3,(H2,15,16,17)
InChIKeyMENXPFSNCCRVOS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.97
Rot. Bonds4

About 4-hydroxy-3-pentyl-1H-quinolin-2-one

4-hydroxy-3-pentyl-1H-quinolin-2-one (PubChem CID 54684098) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-hydroxy-3-pentyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-pentyl-1H-quinolin-2-one
PubChem CID54684098
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-hydroxy-3-pentyl-1H-quinolin-2-one
SMILESCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H17NO2/c1-2-3-4-8-11-13(16)10-7-5-6-9-12(10)15-14(11)17/h5-7,9H,2-4,8H2,1H3,(H2,15,16,17)
InChIKeyMENXPFSNCCRVOS-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pentyl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-pentyl-1H-quinolin-2-one (CID 54684098) is 4-hydroxy-3-pentyl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-pentyl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-pentyl-1H-quinolin-2-one is CCCCCc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-pentyl-1H-quinolin-2-one?
The InChIKey is MENXPFSNCCRVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-3-4-8-11-13(16)10-7-5-6-9-12(10)15-14(11)17/h5-7,9H,2-4,8H2,1H3,(H2,15,16,17).
What are the key properties of 4-hydroxy-3-pentyl-1H-quinolin-2-one?
4-hydroxy-3-pentyl-1H-quinolin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pentyl-1H-quinolin-2-one is sourced from PubChem (CID 54684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).