6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one

C18H18N2O2 — CID 944292

IUPAC6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1
InChIInChI=1S/C18H18N2O2/c1-12-5-3-4-6-16(12)19-11-14-9-13-10-15(22-2)7-8-17(13)20-18(14)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyWJCIOIBAHFODJA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.46
Rot. Bonds4

About 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one

6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one (PubChem CID 944292) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one
PubChem CID944292
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1
InChIInChI=1S/C18H18N2O2/c1-12-5-3-4-6-16(12)19-11-14-9-13-10-15(22-2)7-8-17(13)20-18(14)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyWJCIOIBAHFODJA-UHFFFAOYSA-N
XLogP3.46
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one (CID 944292) is 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1.
What is the InChIKey of 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one?
The InChIKey is WJCIOIBAHFODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-5-3-4-6-16(12)19-11-14-9-13-10-15(22-2)7-8-17(13)20-18(14)21/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one?
6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 944292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).