3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one

C19H20N2O2 — CID 864735

IUPAC3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCOc1ccccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C19H20N2O2/c1-12-8-13(2)18-14(9-12)10-15(19(22)21-18)11-20-16-6-4-5-7-17(16)23-3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyZDFANMLMJRLXSA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.77
Rot. Bonds4

About 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 864735) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID864735
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCOc1ccccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C19H20N2O2/c1-12-8-13(2)18-14(9-12)10-15(19(22)21-18)11-20-16-6-4-5-7-17(16)23-3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyZDFANMLMJRLXSA-UHFFFAOYSA-N
XLogP3.77
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 862232
2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 3169304
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 652717
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868
3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318836
2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110325268
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467453
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 864735) is 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one is COc1ccccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is ZDFANMLMJRLXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-8-13(2)18-14(9-12)10-15(19(22)21-18)11-20-16-6-4-5-7-17(16)23-3/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 864735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).