ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate

C14H14N2O3 — CID 2868572

IUPACethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate
SMILESCCOC(=O)C1CCc2nc3ccccc3c(=O)n21
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)11-7-8-12-15-10-6-4-3-5-9(10)13(17)16(11)12/h3-6,11H,2,7-8H2,1H3
InChIKeyJFMRKAAYWJBOST-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.45
Rot. Bonds2

About ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate

ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate (PubChem CID 2868572) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate
PubChem CID2868572
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate
SMILESCCOC(=O)C1CCc2nc3ccccc3c(=O)n21
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)11-7-8-12-15-10-6-4-3-5-9(10)13(17)16(11)12/h3-6,11H,2,7-8H2,1H3
InChIKeyJFMRKAAYWJBOST-UHFFFAOYSA-N
XLogP1.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate?
The IUPAC name of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate (CID 2868572) is ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate.
What is the SMILES notation for ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate?
The canonical SMILES for ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate is CCOC(=O)C1CCc2nc3ccccc3c(=O)n21.
What is the InChIKey of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate?
The InChIKey is JFMRKAAYWJBOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14(18)11-7-8-12-15-10-6-4-3-5-9(10)13(17)16(11)12/h3-6,11H,2,7-8H2,1H3.
What are the key properties of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate?
ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate is sourced from PubChem (CID 2868572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).