4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

C23H23N3O3 — CID 139009965

IUPAC4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
SMILESC=C(C)CNC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-16(2)14-24-22(29)23-13-12-20(27)26(23)19-11-7-6-10-18(19)21(28)25(23)15-17-8-4-3-5-9-17/h3-11H,1,12-15H2,2H3,(H,24,29)
InChIKeyLFOMADKBGWOMDF-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.86
Rot. Bonds5

About 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (PubChem CID 139009965) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
PubChem CID139009965
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
SMILESC=C(C)CNC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-16(2)14-24-22(29)23-13-12-20(27)26(23)19-11-7-6-10-18(19)21(28)25(23)15-17-8-4-3-5-9-17/h3-11H,1,12-15H2,2H3,(H,24,29)
InChIKeyLFOMADKBGWOMDF-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
The IUPAC name of 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (CID 139009965) is 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is C=C(C)CNC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
The InChIKey is LFOMADKBGWOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(2)14-24-22(29)23-13-12-20(27)26(23)19-11-7-6-10-18(19)21(28)25(23)15-17-8-4-3-5-9-17/h3-11H,1,12-15H2,2H3,(H,24,29).
What are the key properties of 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?
4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-methylprop-2-enyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is sourced from PubChem (CID 139009965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).