(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione

C20H14N2O3 — CID 8002094

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione
SMILESO=C1/C(=C\c2ccco2)c2ccccc2C(=O)N1Cc1ccccn1
InChIInChI=1S/C20H14N2O3/c23-19-17-9-2-1-8-16(17)18(12-15-7-5-11-25-15)20(24)22(19)13-14-6-3-4-10-21-14/h1-12H,13H2/b18-12-
InChIKeyGGMZVNZWCLOWIP-PDGQHHTCSA-N
MW330.34 g/mol
LogP3.40
Rot. Bonds3

About (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione

(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione (PubChem CID 8002094) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione
PubChem CID8002094
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione
SMILESO=C1/C(=C\c2ccco2)c2ccccc2C(=O)N1Cc1ccccn1
InChIInChI=1S/C20H14N2O3/c23-19-17-9-2-1-8-16(17)18(12-15-7-5-11-25-15)20(24)22(19)13-14-6-3-4-10-21-14/h1-12H,13H2/b18-12-
InChIKeyGGMZVNZWCLOWIP-PDGQHHTCSA-N
XLogP3.40
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione (CID 8002094) is (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione is O=C1/C(=C\c2ccco2)c2ccccc2C(=O)N1Cc1ccccn1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione?
The InChIKey is GGMZVNZWCLOWIP-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-19-17-9-2-1-8-16(17)18(12-15-7-5-11-25-15)20(24)22(19)13-14-6-3-4-10-21-14/h1-12H,13H2/b18-12-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione?
(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione has a molecular weight of 330.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione is sourced from PubChem (CID 8002094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).