8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one

C13H18N2O3 — CID 59150166

IUPAC8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCNc1cc2c(c(OCCCO)c1)NC(=O)CC2
InChIInChI=1S/C13H18N2O3/c1-14-10-7-9-3-4-12(17)15-13(9)11(8-10)18-6-2-5-16/h7-8,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyKUKIENIHMAUIPA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.37
Rot. Bonds5

About 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one

8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 59150166) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID59150166
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCNc1cc2c(c(OCCCO)c1)NC(=O)CC2
InChIInChI=1S/C13H18N2O3/c1-14-10-7-9-3-4-12(17)15-13(9)11(8-10)18-6-2-5-16/h7-8,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyKUKIENIHMAUIPA-UHFFFAOYSA-N
XLogP1.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 21073845
8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20555988
8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 145256308
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 126587454
N-(6-methyl-2-oxo-3,4-dihydro-1H-quinolin-8-yl)formamide
CID 168651382
8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 171133307
6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 158343674
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349128

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one (CID 59150166) is 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one is CNc1cc2c(c(OCCCO)c1)NC(=O)CC2.
What is the InChIKey of 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KUKIENIHMAUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-10-7-9-3-4-12(17)15-13(9)11(8-10)18-6-2-5-16/h7-8,14,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 59150166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).