4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

C22H23N3O3 — CID 42885984

IUPAC4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
SMILESCCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-3-24-20(27)17-11-7-8-12-18(17)25-19(26)13-14-22(24,25)21(28)23-15(2)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)
InChIKeyMINKDSCWSAILED-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.86
Rot. Bonds4

About 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (PubChem CID 42885984) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.

Molecular Properties

Compound Name4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
PubChem CID42885984
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
SMILESCCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-3-24-20(27)17-11-7-8-12-18(17)25-19(26)13-14-22(24,25)21(28)23-15(2)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)
InChIKeyMINKDSCWSAILED-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide 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-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
The IUPAC name of 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (CID 42885984) is 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.
What is the SMILES notation for 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
The canonical SMILES for 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is CCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)NC(C)c1ccccc1.
What is the InChIKey of 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
The InChIKey is MINKDSCWSAILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-24-20(27)17-11-7-8-12-18(17)25-19(26)13-14-22(24,25)21(28)23-15(2)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,28).
What are the key properties of 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,5-dioxo-N-(1-phenylethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is sourced from PubChem (CID 42885984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).