7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one

C13H17NO2 — CID 129209031

IUPAC7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CCCCO)cc2N1
InChIInChI=1S/C13H17NO2/c15-8-2-1-3-10-4-5-11-6-7-13(16)14-12(11)9-10/h4-5,9,15H,1-3,6-8H2,(H,14,16)
InChIKeyQDKASXHQJLBMKV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds4

About 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one

7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 129209031) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID129209031
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CCCCO)cc2N1
InChIInChI=1S/C13H17NO2/c15-8-2-1-3-10-4-5-11-6-7-13(16)14-12(11)9-10/h4-5,9,15H,1-3,6-8H2,(H,14,16)
InChIKeyQDKASXHQJLBMKV-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
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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Related Compounds

4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
7-[2-(1-aminocyclopropyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 105488328
7-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290752
6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217584
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 21073845
8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164924976
7-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one;5,5-dimethylhexanoic acid;sulfanol
CID 170973995

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one (CID 129209031) is 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(CCCCO)cc2N1.
What is the InChIKey of 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QDKASXHQJLBMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-8-2-1-3-10-4-5-11-6-7-13(16)14-12(11)9-10/h4-5,9,15H,1-3,6-8H2,(H,14,16).
What are the key properties of 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 129209031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).