6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one

C14H19NO2 — CID 63106881

IUPAC6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCC(O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C14H19NO2/c1-3-4-13(16)11-5-7-12-10(9-11)6-8-14(17)15(12)2/h5,7,9,13,16H,3-4,6,8H2,1-2H3
InChIKeyOYAMEKXIFVZGER-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds3

About 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63106881) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63106881
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCC(O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C14H19NO2/c1-3-4-13(16)11-5-7-12-10(9-11)6-8-14(17)15(12)2/h5,7,9,13,16H,3-4,6,8H2,1-2H3
InChIKeyOYAMEKXIFVZGER-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106693
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 55177038
6-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 13064851
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63106881) is 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one is CCCC(O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is OYAMEKXIFVZGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-13(16)11-5-7-12-10(9-11)6-8-14(17)15(12)2/h5,7,9,13,16H,3-4,6,8H2,1-2H3.
What are the key properties of 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63106881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).