(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione

C25H21NO2 — CID 7971897

IUPAC(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
SMILESCCc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1
InChIInChI=1S/C25H21NO2/c1-3-18-12-14-19(15-13-18)16-22-20-9-5-6-10-21(20)24(27)26(25(22)28)23-11-7-4-8-17(23)2/h4-16H,3H2,1-2H3/b22-16-
InChIKeyIEVZNIWSAPVRFB-JWGURIENSA-N
MW367.45 g/mol
LogP5.29
Rot. Bonds3

About (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione

(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione (PubChem CID 7971897) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
PubChem CID7971897
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
SMILESCCc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1
InChIInChI=1S/C25H21NO2/c1-3-18-12-14-19(15-13-18)16-22-20-9-5-6-10-21(20)24(27)26(25(22)28)23-11-7-4-8-17(23)2/h4-16H,3H2,1-2H3/b22-16-
InChIKeyIEVZNIWSAPVRFB-JWGURIENSA-N
XLogP5.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 18291388
4-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 30592115
(4Z)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 6212113
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 4783304
2-(2-methylphenyl)-4-[(1-phenylpyrazol-4-yl)methylidene]isoquinoline-1,3-dione
CID 9334478
2-(2-methylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]isoquinoline-1,3-dione
CID 4806074
(4E)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 18208409
(5E)-5-[(4-ethylphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328779
3-benzylidene-2-(2-methylphenyl)isoindol-1-one
CID 3294235
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1375958
(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
CID 7971937
2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one
CID 177233706

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
The IUPAC name of (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione (CID 7971897) is (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione.
What is the SMILES notation for (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
The canonical SMILES for (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione is CCc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1.
What is the InChIKey of (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
The InChIKey is IEVZNIWSAPVRFB-JWGURIENSA-N. The full InChI is InChI=1S/C25H21NO2/c1-3-18-12-14-19(15-13-18)16-22-20-9-5-6-10-21(20)24(27)26(25(22)28)23-11-7-4-8-17(23)2/h4-16H,3H2,1-2H3/b22-16-.
What are the key properties of (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione?
(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione has a molecular weight of 367.45 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione is sourced from PubChem (CID 7971897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).