4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid

C15H14N2O4 — CID 4962525

IUPAC4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
SMILESO=C1CCC2(C(=O)O)N1c1ccccc1C(=O)N2C1CC1
InChIInChI=1S/C15H14N2O4/c18-12-7-8-15(14(20)21)16(9-5-6-9)13(19)10-3-1-2-4-11(10)17(12)15/h1-4,9H,5-8H2,(H,20,21)
InChIKeyLHSNRGLXMNVPDN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.21
Rot. Bonds2

About 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid

4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid (PubChem CID 4962525) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
PubChem CID4962525
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
SMILESO=C1CCC2(C(=O)O)N1c1ccccc1C(=O)N2C1CC1
InChIInChI=1S/C15H14N2O4/c18-12-7-8-15(14(20)21)16(9-5-6-9)13(19)10-3-1-2-4-11(10)17(12)15/h1-4,9H,5-8H2,(H,20,21)
InChIKeyLHSNRGLXMNVPDN-UHFFFAOYSA-N
XLogP1.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-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 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
The IUPAC name of 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid (CID 4962525) is 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid is O=C1CCC2(C(=O)O)N1c1ccccc1C(=O)N2C1CC1.
What is the InChIKey of 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
The InChIKey is LHSNRGLXMNVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-12-7-8-15(14(20)21)16(9-5-6-9)13(19)10-3-1-2-4-11(10)17(12)15/h1-4,9H,5-8H2,(H,20,21).
What are the key properties of 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid is sourced from PubChem (CID 4962525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).