1-butyl-3-chloro-4-hydroxyquinolin-2-one

C13H14ClNO2 — CID 54705930

IUPAC1-butyl-3-chloro-4-hydroxyquinolin-2-one
SMILESCCCCn1c(=O)c(Cl)c(O)c2ccccc21
InChIInChI=1S/C13H14ClNO2/c1-2-3-8-15-10-7-5-4-6-9(10)12(16)11(14)13(15)17/h4-7,16H,2-3,8H2,1H3
InChIKeyQJVZJIHODLLMHB-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.16
Rot. Bonds3

About 1-butyl-3-chloro-4-hydroxyquinolin-2-one

1-butyl-3-chloro-4-hydroxyquinolin-2-one (PubChem CID 54705930) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-butyl-3-chloro-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-butyl-3-chloro-4-hydroxyquinolin-2-one
PubChem CID54705930
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-butyl-3-chloro-4-hydroxyquinolin-2-one
SMILESCCCCn1c(=O)c(Cl)c(O)c2ccccc21
InChIInChI=1S/C13H14ClNO2/c1-2-3-8-15-10-7-5-4-6-9(10)12(16)11(14)13(15)17/h4-7,16H,2-3,8H2,1H3
InChIKeyQJVZJIHODLLMHB-UHFFFAOYSA-N
XLogP3.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-hydroxy-3-pyridin-1-ium-1-ylquinolin-2-one
CID 54689721
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135400710
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
5-butylbenzo[k]phenanthridin-6-one
CID 46885584
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-chloro-4-hydroxyquinolin-2-one?
The IUPAC name of 1-butyl-3-chloro-4-hydroxyquinolin-2-one (CID 54705930) is 1-butyl-3-chloro-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1-butyl-3-chloro-4-hydroxyquinolin-2-one?
The canonical SMILES for 1-butyl-3-chloro-4-hydroxyquinolin-2-one is CCCCn1c(=O)c(Cl)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-3-chloro-4-hydroxyquinolin-2-one?
The InChIKey is QJVZJIHODLLMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-3-8-15-10-7-5-4-6-9(10)12(16)11(14)13(15)17/h4-7,16H,2-3,8H2,1H3.
What are the key properties of 1-butyl-3-chloro-4-hydroxyquinolin-2-one?
1-butyl-3-chloro-4-hydroxyquinolin-2-one has a molecular weight of 251.71 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-chloro-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54705930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).