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

C13H17NO3 — CID 82291111

IUPAC6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)CCO)ccc21
InChIInChI=1S/C13H17NO3/c1-14-11-4-2-10(12(16)6-7-15)8-9(11)3-5-13(14)17/h2,4,8,12,15-16H,3,5-7H2,1H3
InChIKeyVQNYQPUREBPSQA-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.01
Rot. Bonds3

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

6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 82291111) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID82291111
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)CCO)ccc21
InChIInChI=1S/C13H17NO3/c1-14-11-4-2-10(12(16)6-7-15)8-9(11)3-5-13(14)17/h2,4,8,12,15-16H,3,5-7H2,1H3
InChIKeyVQNYQPUREBPSQA-UHFFFAOYSA-N
XLogP1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106693
6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116952952
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
6-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 13064851
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 82291111) is 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(O)CCO)ccc21.
What is the InChIKey of 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is VQNYQPUREBPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14-11-4-2-10(12(16)6-7-15)8-9(11)3-5-13(14)17/h2,4,8,12,15-16H,3,5-7H2,1H3.
What are the key properties of 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82291111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).