(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one

C22H18N2O2 — CID 54603064

IUPAC(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
SMILESCC1=C/C(=C\C=C2\C=Cc3cccc(O)c3N2C)C(=O)c2ncccc21
InChIInChI=1S/C22H18N2O2/c1-14-13-16(22(26)20-18(14)6-4-12-23-20)9-11-17-10-8-15-5-3-7-19(25)21(15)24(17)2/h3-13,25H,1-2H3/b16-9+,17-11-
InChIKeyXCSGZNJZIKBYCB-BZGNCICPSA-N
MW342.40 g/mol
LogP4.36
Rot. Bonds1

About (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one

(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one (PubChem CID 54603064) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one.

Molecular Properties

Compound Name(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
PubChem CID54603064
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
SMILESCC1=C/C(=C\C=C2\C=Cc3cccc(O)c3N2C)C(=O)c2ncccc21
InChIInChI=1S/C22H18N2O2/c1-14-13-16(22(26)20-18(14)6-4-12-23-20)9-11-17-10-8-15-5-3-7-19(25)21(15)24(17)2/h3-13,25H,1-2H3/b16-9+,17-11-
InChIKeyXCSGZNJZIKBYCB-BZGNCICPSA-N
XLogP4.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one with MolForge

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Related Compounds

(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one;methyl hydrogen sulfate
CID 171376897
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
(6E)-6-[(2E)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one;methyl hydrogen sulfate
CID 171376862
(5E)-5-[(2Z)-2-(1,6-dimethylquinolin-2-ylidene)ethylidene]quinolin-8-one
CID 5351203
(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one
CID 5474823
5-[2-(6-ethoxy-1-methylquinolin-2-ylidene)ethylidene]quinolin-8-one
CID 6786028
5-[2-(1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
CID 6822212
4,7-phenanthroline-5,6-dione
CID 6764
(5Z)-5-[(2E)-2-(5-ethyl-1-methyl-2-pyridinylidene)ethylidene]quinolin-8-one
CID 6159879
(5Z)-5-[(2Z)-2-(2-methylisoquinolin-1-ylidene)ethylidene]quinolin-8-one
CID 54612153
(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide
CID 171377083

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one?
The IUPAC name of (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one (CID 54603064) is (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one.
What is the SMILES notation for (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one?
The canonical SMILES for (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one is CC1=C/C(=C\C=C2\C=Cc3cccc(O)c3N2C)C(=O)c2ncccc21.
What is the InChIKey of (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one?
The InChIKey is XCSGZNJZIKBYCB-BZGNCICPSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-13-16(22(26)20-18(14)6-4-12-23-20)9-11-17-10-8-15-5-3-7-19(25)21(15)24(17)2/h3-13,25H,1-2H3/b16-9+,17-11-.
What are the key properties of (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one?
(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one has a molecular weight of 342.40 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one is sourced from PubChem (CID 54603064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).