6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one

C13H18N2O2 — CID 115229304

IUPAC6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CCNCO)ccc21
InChIInChI=1S/C13H18N2O2/c1-15-12-4-2-10(6-7-14-9-16)8-11(12)3-5-13(15)17/h2,4,8,14,16H,3,5-7,9H2,1H3
InChIKeyHUNPXRXEMAWNGG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.68
Rot. Bonds4

About 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 115229304) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID115229304
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CCNCO)ccc21
InChIInChI=1S/C13H18N2O2/c1-15-12-4-2-10(6-7-14-9-16)8-11(12)3-5-13(15)17/h2,4,8,14,16H,3,5-7,9H2,1H3
InChIKeyHUNPXRXEMAWNGG-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788721
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 115229304) is 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CCNCO)ccc21.
What is the InChIKey of 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HUNPXRXEMAWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-12-4-2-10(6-7-14-9-16)8-11(12)3-5-13(15)17/h2,4,8,14,16H,3,5-7,9H2,1H3.
What are the key properties of 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115229304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).