3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one

C18H24N2O3 — CID 119136098

IUPAC3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCCCOCC1CCCO1
InChIInChI=1S/C18H24N2O3/c21-18-15(11-14-5-1-2-7-17(14)20-18)12-19-8-4-9-22-13-16-6-3-10-23-16/h1-2,5,7,11,16,19H,3-4,6,8-10,12-13H2,(H,20,21)
InChIKeyWNFBRDXCYLMWSU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.20
Rot. Bonds8

About 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one

3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one (PubChem CID 119136098) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
PubChem CID119136098
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCCCOCC1CCCO1
InChIInChI=1S/C18H24N2O3/c21-18-15(11-14-5-1-2-7-17(14)20-18)12-19-8-4-9-22-13-16-6-3-10-23-16/h1-2,5,7,11,16,19H,3-4,6,8-10,12-13H2,(H,20,21)
InChIKeyWNFBRDXCYLMWSU-UHFFFAOYSA-N
XLogP2.20
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-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

N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79883823
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
N-[(2-bromo-4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115556603
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2031189
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one (CID 119136098) is 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNCCCOCC1CCCO1.
What is the InChIKey of 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one?
The InChIKey is WNFBRDXCYLMWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18-15(11-14-5-1-2-7-17(14)20-18)12-19-8-4-9-22-13-16-6-3-10-23-16/h1-2,5,7,11,16,19H,3-4,6,8-10,12-13H2,(H,20,21).
What are the key properties of 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one?
3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 119136098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).