1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one

C13H17NO2 — CID 54512628

IUPAC1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one
SMILESCCCCN1C(=O)CC(O)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyYKFCIMZATVKHKN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.26
Rot. Bonds3

About 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one

1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 54512628) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID54512628
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one
SMILESCCCCN1C(=O)CC(O)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyYKFCIMZATVKHKN-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one (CID 54512628) is 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one is CCCCN1C(=O)CC(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is YKFCIMZATVKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,12,15H,2-3,8-9H2,1H3.
What are the key properties of 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one?
1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 54512628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).