2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one

C17H14N2O — CID 6812848

IUPAC2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
SMILESCN1C=CC=CC1=CC=c1ccc2c(n1)C(=O)C=CC=2
InChIInChI=1S/C17H14N2O/c1-19-12-3-2-6-15(19)11-10-14-9-8-13-5-4-7-16(20)17(13)18-14/h2-12H,1H3
InChIKeyHWDNIHCOUPOQHL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.29
Rot. Bonds1

About 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one

2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one (PubChem CID 6812848) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one.

Molecular Properties

Compound Name2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
PubChem CID6812848
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
SMILESCN1C=CC=CC1=CC=c1ccc2c(n1)C(=O)C=CC=2
InChIInChI=1S/C17H14N2O/c1-19-12-3-2-6-15(19)11-10-14-9-8-13-5-4-7-16(20)17(13)18-14/h2-12H,1H3
InChIKeyHWDNIHCOUPOQHL-UHFFFAOYSA-N
XLogP1.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one?
The IUPAC name of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one (CID 6812848) is 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one.
What is the SMILES notation for 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one?
The canonical SMILES for 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one is CN1C=CC=CC1=CC=c1ccc2c(n1)C(=O)C=CC=2.
What is the InChIKey of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one?
The InChIKey is HWDNIHCOUPOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-12-3-2-6-15(19)11-10-14-9-8-13-5-4-7-16(20)17(13)18-14/h2-12H,1H3.
What are the key properties of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one?
2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one has a molecular weight of 262.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one is sourced from PubChem (CID 6812848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).