(3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

C23H15FN2O4 — CID 6284022

IUPAC(3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)CC3
InChIInChI=1S/C23H15FN2O4/c24-16-4-1-13(2-5-16)20-8-6-17(30-20)11-14-9-10-26-21(14)25-19-12-15(23(28)29)3-7-18(19)22(26)27/h1-8,11-12H,9-10H2,(H,28,29)/b14-11+
InChIKeyPAWMXFURZARYDW-SDNWHVSQSA-N
MW402.38 g/mol
LogP4.44
Rot. Bonds3

About (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

(3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid (PubChem CID 6284022) has the molecular formula C23H15FN2O4 and a molecular weight of 402.38 g/mol. Its IUPAC name is (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
PubChem CID6284022
Molecular FormulaC23H15FN2O4
Molecular Weight402.38 g/mol
Exact Mass402.10
IUPAC Name(3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)CC3
InChIInChI=1S/C23H15FN2O4/c24-16-4-1-13(2-5-16)20-8-6-17(30-20)11-14-9-10-26-21(14)25-19-12-15(23(28)29)3-7-18(19)22(26)27/h1-8,11-12H,9-10H2,(H,28,29)/b14-11+
InChIKeyPAWMXFURZARYDW-SDNWHVSQSA-N
XLogP4.44
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid?
The IUPAC name of (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid (CID 6284022) is (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid.
What is the SMILES notation for (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid?
The canonical SMILES for (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)CC3.
What is the InChIKey of (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid?
The InChIKey is PAWMXFURZARYDW-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H15FN2O4/c24-16-4-1-13(2-5-16)20-8-6-17(30-20)11-14-9-10-26-21(14)25-19-12-15(23(28)29)3-7-18(19)22(26)27/h1-8,11-12H,9-10H2,(H,28,29)/b14-11+.
What are the key properties of (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid?
(3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid has a molecular weight of 402.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is sourced from PubChem (CID 6284022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).