3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one

C21H24N2O2 — CID 18525142

IUPAC3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(CCNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-14-4-5-15(2)20-19(14)12-17(21(24)23-20)13-22-11-10-16-6-8-18(25-3)9-7-16/h4-9,12,22H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyHOPDPXQASVZHSR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.49
Rot. Bonds6

About 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one

3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 18525142) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one
PubChem CID18525142
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(CCNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-14-4-5-15(2)20-19(14)12-17(21(24)23-20)13-22-11-10-16-6-8-18(25-3)9-7-16/h4-9,12,22H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyHOPDPXQASVZHSR-UHFFFAOYSA-N
XLogP3.49
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553
3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 862227
N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 115967848
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
CID 865117
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169166
2-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 132891753

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one (CID 18525142) is 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one is COc1ccc(CCNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is HOPDPXQASVZHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-4-5-15(2)20-19(14)12-17(21(24)23-20)13-22-11-10-16-6-8-18(25-3)9-7-16/h4-9,12,22H,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 18525142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).