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

C17H15ClN2O — CID 154734940

IUPAC2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride
SMILESCN1C=CC=CC1=CC=c1ccc2c(n1)C(=O)C=CC=2.Cl
InChIInChI=1S/C17H14N2O.ClH/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;1H
InChIKeyBYHUUEMAOFMBQK-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.72
Rot. Bonds1

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

2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride (PubChem CID 154734940) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride
PubChem CID154734940
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride
SMILESCN1C=CC=CC1=CC=c1ccc2c(n1)C(=O)C=CC=2.Cl
InChIInChI=1S/C17H14N2O.ClH/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;1H
InChIKeyBYHUUEMAOFMBQK-UHFFFAOYSA-N
XLogP1.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.72
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;hydrochloride?
The IUPAC name of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride (CID 154734940) is 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride.
What is the SMILES notation for 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride?
The canonical SMILES for 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride is CN1C=CC=CC1=CC=c1ccc2c(n1)C(=O)C=CC=2.Cl.
What is the InChIKey of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride?
The InChIKey is BYHUUEMAOFMBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O.ClH/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;1H.
What are the key properties of 2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride?
2-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.72, 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;hydrochloride is sourced from PubChem (CID 154734940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).