3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one

C17H16N2O2 — CID 942126

IUPAC3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccccc3)cc2c1
InChIInChI=1S/C17H16N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyYDCKNTBIYVLWHG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.15
Rot. Bonds4

About 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one

3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one (PubChem CID 942126) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one
PubChem CID942126
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccccc3)cc2c1
InChIInChI=1S/C17H16N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyYDCKNTBIYVLWHG-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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Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one (CID 942126) is 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3ccccc3)cc2c1.
What is the InChIKey of 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one?
The InChIKey is YDCKNTBIYVLWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of 3-(anilinomethyl)-6-methoxy-1H-quinolin-2-one?
3-(anilinomethyl)-6-methoxy-1H-quinolin-2-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-(anilinomethyl)-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 942126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).