5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one

C22H18N2O — CID 6803592

IUPAC5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one
SMILESCC1=CC(=CC=C2C=CN(C)c3ccccc32)C(=O)c2ncccc21
InChIInChI=1S/C22H18N2O/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20/h3-14H,1-2H3
InChIKeyLUNLWEDILJFNBX-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.65
Rot. Bonds1

About 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one

5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one (PubChem CID 6803592) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one.

Molecular Properties

Compound Name5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one
PubChem CID6803592
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one
SMILESCC1=CC(=CC=C2C=CN(C)c3ccccc32)C(=O)c2ncccc21
InChIInChI=1S/C22H18N2O/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20/h3-14H,1-2H3
InChIKeyLUNLWEDILJFNBX-UHFFFAOYSA-N
XLogP4.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
CID 154734819
(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
CID 54603064
(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one
CID 5474823
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;methyl hydrogen sulfate
CID 171376897
(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one
CID 54612153
(4E)-4-[(2E)-5,5-bis(trifluoromethylsulfonyl)penta-2,4-dienylidene]-1-methylquinoline
CID 87847399
5-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
CID 6822212
4,7-phenanthroline-5,6-dione
CID 6764
(5E)-5-[(2Z)-2-(1,6-dimethylquinolin-2-ylidene)ethylidene]quinolin-8-one
CID 5351203
(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 20759610
2-[(5Z)-5-[(2E)-2-(1-methylquinolin-4-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethylphosphonic acid
CID 59886039

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one?
The IUPAC name of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one (CID 6803592) is 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one.
What is the SMILES notation for 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one?
The canonical SMILES for 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one is CC1=CC(=CC=C2C=CN(C)c3ccccc32)C(=O)c2ncccc21.
What is the InChIKey of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one?
The InChIKey is LUNLWEDILJFNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20/h3-14H,1-2H3.
What are the key properties of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one?
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one has a molecular weight of 326.40 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one is sourced from PubChem (CID 6803592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).