diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate

C17H16N2O4 — CID 70615758

IUPACdiethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate
SMILESCCOC(=O)c1ccc2ncn3cccc3c2c1C(=O)OCC
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-7-8-12-15(14(11)17(21)23-4-2)13-6-5-9-19(13)10-18-12/h5-10H,3-4H2,1-2H3
InChIKeyVDZSRDCPCZUJSY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.84
Rot. Bonds4

About diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate

diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate (PubChem CID 70615758) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate.

Molecular Properties

Compound Namediethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate
PubChem CID70615758
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namediethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate
SMILESCCOC(=O)c1ccc2ncn3cccc3c2c1C(=O)OCC
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-7-8-12-15(14(11)17(21)23-4-2)13-6-5-9-19(13)10-18-12/h5-10H,3-4H2,1-2H3
InChIKeyVDZSRDCPCZUJSY-UHFFFAOYSA-N
XLogP2.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate?
The IUPAC name of diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate (CID 70615758) is diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate.
What is the SMILES notation for diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate?
The canonical SMILES for diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate is CCOC(=O)c1ccc2ncn3cccc3c2c1C(=O)OCC.
What is the InChIKey of diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate?
The InChIKey is VDZSRDCPCZUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-22-16(20)11-7-8-12-15(14(11)17(21)23-4-2)13-6-5-9-19(13)10-18-12/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate?
diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl pyrrolo[1,2-c]quinazoline-9,10-dicarboxylate is sourced from PubChem (CID 70615758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).