(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one

C21H16N2O — CID 54612153

IUPAC(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one
SMILESCN1C=Cc2ccccc2/C1=C/C=C1/C=CC(=O)c2ncccc21
InChIInChI=1S/C21H16N2O/c1-23-14-12-15-5-2-3-6-17(15)19(23)10-8-16-9-11-20(24)21-18(16)7-4-13-22-21/h2-14H,1H3/b16-8-,19-10-
InChIKeyXLEBYMNVBIAIHA-HDIIUVHLSA-N
MW312.37 g/mol
LogP4.17
Rot. Bonds1

About (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one

(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one (PubChem CID 54612153) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one.

Molecular Properties

Compound Name(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one
PubChem CID54612153
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one
SMILESCN1C=Cc2ccccc2/C1=C/C=C1/C=CC(=O)c2ncccc21
InChIInChI=1S/C21H16N2O/c1-23-14-12-15-5-2-3-6-17(15)19(23)10-8-16-9-11-20(24)21-18(16)7-4-13-22-21/h2-14H,1H3/b16-8-,19-10-
InChIKeyXLEBYMNVBIAIHA-HDIIUVHLSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
CID 6822212
(5Z)-5-[(2E)-2-(5-ethyl-1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
CID 6159879
(5E)-5-[(2Z)-2-(1,6-dimethylquinolin-2-ylidene)ethylidene]quinolin-8-one
CID 5351203
5-[2-(6-ethoxy-1-methylquinolin-2-ylidene)ethylidene]quinolin-8-one
CID 6786028
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one
CID 6803592
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
CID 154734819
5-methylbenzo[d][1]benzazepine
CID 67174397
4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385220
(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
CID 54603064
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
4,7-phenanthroline-5,6-dione
CID 6764
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one?
The IUPAC name of (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one (CID 54612153) is (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one.
What is the SMILES notation for (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one?
The canonical SMILES for (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one is CN1C=Cc2ccccc2/C1=C/C=C1/C=CC(=O)c2ncccc21.
What is the InChIKey of (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one?
The InChIKey is XLEBYMNVBIAIHA-HDIIUVHLSA-N. The full InChI is InChI=1S/C21H16N2O/c1-23-14-12-15-5-2-3-6-17(15)19(23)10-8-16-9-11-20(24)21-18(16)7-4-13-22-21/h2-14H,1H3/b16-8-,19-10-.
What are the key properties of (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one?
(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one has a molecular weight of 312.37 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one is sourced from PubChem (CID 54612153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).