3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

C18H16N2O2 — CID 2973158

IUPAC3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-18-12-11-16(21)20(18)15-10-6-5-9-14(15)17(22)19(18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyGVAXPSUDSSRLSV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.19
Rot. Bonds1

About 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (PubChem CID 2973158) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
PubChem CID2973158
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-18-12-11-16(21)20(18)15-10-6-5-9-14(15)17(22)19(18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyGVAXPSUDSSRLSV-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The IUPAC name of 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (CID 2973158) is 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.
What is the SMILES notation for 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The canonical SMILES for 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1.
What is the InChIKey of 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The InChIKey is GVAXPSUDSSRLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-18-12-11-16(21)20(18)15-10-6-5-9-14(15)17(22)19(18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione has a molecular weight of 292.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-4-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 2973158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).