3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one

C18H26N2O2 — CID 111498735

IUPAC3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC(CC)(CCO)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H26N2O2/c1-3-18(4-2,9-10-21)13-19-12-15-11-14-7-5-6-8-16(14)20-17(15)22/h5-8,11,19,21H,3-4,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyNOGZFLSQBDYEEG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.81
Rot. Bonds8

About 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one

3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 111498735) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
PubChem CID111498735
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC(CC)(CCO)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H26N2O2/c1-3-18(4-2,9-10-21)13-19-12-15-11-14-7-5-6-8-16(14)20-17(15)22/h5-8,11,19,21H,3-4,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyNOGZFLSQBDYEEG-UHFFFAOYSA-N
XLogP2.81
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
CID 103839029
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
CID 119136099
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[(3-methylhex-5-en-3-ylamino)methyl]-1H-quinolin-2-one
CID 58415945

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one (CID 111498735) is 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one is CCC(CC)(CCO)CNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is NOGZFLSQBDYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-18(4-2,9-10-21)13-19-12-15-11-14-7-5-6-8-16(14)20-17(15)22/h5-8,11,19,21H,3-4,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one?
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 111498735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).