(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

C25H20N2O5 — CID 2641435

About (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate (PubChem CID 2641435) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate.

Molecular Properties

• Compound Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
• PubChem CID: 2641435
• Molecular Formula: C25H20N2O5
• Molecular Weight: 428.44 g/mol
• Exact Mass: 428.14
• IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
• SMILES: O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc2c(=O)n3c(nc2c1)CCC3
• InChI: InChI=1S/C25H20N2O5/c28-23-12-17(19-9-14-3-1-4-15(14)11-21(19)32-23)13-31-25(30)16-6-7-18-20(10-16)26-22-5-2-8-27(22)24(18)29/h6-7,9-12H,1-5,8,13H2
• InChIKey: PYVAMLCMKRCXHM-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 91.40 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.44
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?

The IUPAC name of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate (CID 2641435) is (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate.

What is the SMILES notation for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?

The canonical SMILES for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate is O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc2c(=O)n3c(nc2c1)CCC3.

What is the InChIKey of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?

The InChIKey is PYVAMLCMKRCXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-23-12-17(19-9-14-3-1-4-15(14)11-21(19)32-23)13-31-25(30)16-6-7-18-20(10-16)26-22-5-2-8-27(22)24(18)29/h6-7,9-12H,1-5,8,13H2.

What are the key properties of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate has a molecular weight of 428.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate is sourced from PubChem (CID 2641435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).