3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one

C20H22N2O3 — CID 25318836

IUPAC3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-12-5-6-14-9-15(20(23)22-19(14)13(12)2)11-21-17-8-7-16(24-3)10-18(17)25-4/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyGIKXQDXDRDEZBO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.77
Rot. Bonds5

About 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 25318836) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID25318836
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-12-5-6-14-9-15(20(23)22-19(14)13(12)2)11-21-17-8-7-16(24-3)10-18(17)25-4/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyGIKXQDXDRDEZBO-UHFFFAOYSA-N
XLogP3.77
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324463
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium
CID 7141065
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110325145
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 3193974
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 25318836) is 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one is COc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is GIKXQDXDRDEZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-5-6-14-9-15(20(23)22-19(14)13(12)2)11-21-17-8-7-16(24-3)10-18(17)25-4/h5-10,21H,11H2,1-4H3,(H,22,23).
What are the key properties of 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 25318836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).