6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one

C15H22N2O2 — CID 116952952

IUPAC6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCNC(CCCO)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H22N2O2/c1-16-13(4-3-9-18)11-5-7-14-12(10-11)6-8-15(19)17(14)2/h5,7,10,13,16,18H,3-4,6,8-9H2,1-2H3
InChIKeyQFXGDXSPOKGDOW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.63
Rot. Bonds5

About 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116952952) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116952952
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCNC(CCCO)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H22N2O2/c1-16-13(4-3-9-18)11-5-7-14-12(10-11)6-8-15(19)17(14)2/h5,7,10,13,16,18H,3-4,6,8-9H2,1-2H3
InChIKeyQFXGDXSPOKGDOW-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one
CID 114752545
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 55177038
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
3-hydroxypropyl 1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 116863021
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125

Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 116952952) is 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one is CNC(CCCO)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QFXGDXSPOKGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-13(4-3-9-18)11-5-7-14-12(10-11)6-8-15(19)17(14)2/h5,7,10,13,16,18H,3-4,6,8-9H2,1-2H3.
What are the key properties of 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116952952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).