6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one

C14H18N2O2 — CID 3169171

IUPAC6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CNCCO)cc2c1
InChIInChI=1S/C14H18N2O2/c1-2-10-3-4-13-11(7-10)8-12(14(18)16-13)9-15-5-6-17/h3-4,7-8,15,17H,2,5-6,9H2,1H3,(H,16,18)
InChIKeyAREBXIKTBQYQMG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.17
Rot. Bonds5

About 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one

6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one (PubChem CID 3169171) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
PubChem CID3169171
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CNCCO)cc2c1
InChIInChI=1S/C14H18N2O2/c1-2-10-3-4-13-11(7-10)8-12(14(18)16-13)9-15-5-6-17/h3-4,7-8,15,17H,2,5-6,9H2,1H3,(H,16,18)
InChIKeyAREBXIKTBQYQMG-UHFFFAOYSA-N
XLogP1.17
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 3170314
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea
CID 1133613
6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
CID 46950045
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 1161906
4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363310
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
3-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 3173869

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one (CID 3169171) is 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CNCCO)cc2c1.
What is the InChIKey of 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one?
The InChIKey is AREBXIKTBQYQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-10-3-4-13-11(7-10)8-12(14(18)16-13)9-15-5-6-17/h3-4,7-8,15,17H,2,5-6,9H2,1H3,(H,16,18).
What are the key properties of 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one?
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3169171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).