(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione

C18H15NO4 — CID 93211212

IUPAC(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione
SMILESCO/C=C1\C(=O)NC(=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H15NO4/c1-22-11-16-15-9-13(23-10-12-5-3-2-4-6-12)7-8-14(15)17(20)19-18(16)21/h2-9,11H,10H2,1H3,(H,19,20,21)/b16-11-
InChIKeyYYCLHRMWWGFZCJ-WJDWOHSUSA-N
MW309.32 g/mol
LogP2.52
Rot. Bonds4

About (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione

(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione (PubChem CID 93211212) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione
PubChem CID93211212
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione
SMILESCO/C=C1\C(=O)NC(=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H15NO4/c1-22-11-16-15-9-13(23-10-12-5-3-2-4-6-12)7-8-14(15)17(20)19-18(16)21/h2-9,11H,10H2,1H3,(H,19,20,21)/b16-11-
InChIKeyYYCLHRMWWGFZCJ-WJDWOHSUSA-N
XLogP2.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione with MolForge

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Related Compounds

(4Z)-4-(methoxymethylidene)-6-(3-phenylpropoxy)isoquinoline-1,3-dione
CID 82062802
(4Z)-6-butoxy-4-(methoxymethylidene)isoquinoline-1,3-dione
CID 82062800
(4Z)-6-chloro-4-(methoxymethylidene)isoquinoline-1,3-dione
CID 82062795
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
(4Z)-4-(methoxymethylidene)-6-propan-2-ylisoquinoline-1,3-dione
CID 82062808
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
5-phenylmethoxy-2-prop-1-ynoxyindene-1,3-dione
CID 139638093
5,6-dimethyl-2-phenylmethoxyfluoren-9-one
CID 82579583
(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 11164464
3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 69455728

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione?
The IUPAC name of (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione (CID 93211212) is (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione is CO/C=C1\C(=O)NC(=O)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione?
The InChIKey is YYCLHRMWWGFZCJ-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-11-16-15-9-13(23-10-12-5-3-2-4-6-12)7-8-14(15)17(20)19-18(16)21/h2-9,11H,10H2,1H3,(H,19,20,21)/b16-11-.
What are the key properties of (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione?
(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione has a molecular weight of 309.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione is sourced from PubChem (CID 93211212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).