3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one

C17H16N2O2 — CID 137470450

IUPAC3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one
SMILESCOc1ccccc1NCc1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H16N2O2/c1-21-16-9-5-4-8-15(16)19-11-12-10-18-14-7-3-2-6-13(14)17(12)20/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyQTKFPOKOYDJSRC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.15
Rot. Bonds4

About 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one

3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one (PubChem CID 137470450) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one
PubChem CID137470450
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one
SMILESCOc1ccccc1NCc1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H16N2O2/c1-21-16-9-5-4-8-15(16)19-11-12-10-18-14-7-3-2-6-13(14)17(12)20/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyQTKFPOKOYDJSRC-UHFFFAOYSA-N
XLogP3.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2,4-ditert-butyl-5-(methoxymethoxy)anilino]methyl]-1H-quinolin-4-one
CID 123201345
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3-[(2-methoxyphenyl)methyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one?
The IUPAC name of 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one (CID 137470450) is 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one is COc1ccccc1NCc1c[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one?
The InChIKey is QTKFPOKOYDJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-9-5-4-8-15(16)19-11-12-10-18-14-7-3-2-6-13(14)17(12)20/h2-10,19H,11H2,1H3,(H,18,20).
What are the key properties of 3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one?
3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.15, 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]-1H-quinolin-4-one is sourced from PubChem (CID 137470450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).