ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride

C14H15ClN2O3 — CID 13171282

IUPACethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3.Cl
InChIInChI=1S/C14H14N2O3.ClH/c1-2-19-14(18)9-5-6-10-11(8-9)15-12-4-3-7-16(12)13(10)17;/h5-6,8H,2-4,7H2,1H3;1H
InChIKeyPLXHEMGIZZRVCW-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.94
Rot. Bonds2

About ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride

ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride (PubChem CID 13171282) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
PubChem CID13171282
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3.Cl
InChIInChI=1S/C14H14N2O3.ClH/c1-2-19-14(18)9-5-6-10-11(8-9)15-12-4-3-7-16(12)13(10)17;/h5-6,8H,2-4,7H2,1H3;1H
InChIKeyPLXHEMGIZZRVCW-UHFFFAOYSA-N
XLogP1.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.94
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-6-carboxylate;hydrochloride?
The IUPAC name of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride (CID 13171282) is ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride?
The canonical SMILES for ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride is CCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3.Cl.
What is the InChIKey of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride?
The InChIKey is PLXHEMGIZZRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.ClH/c1-2-19-14(18)9-5-6-10-11(8-9)15-12-4-3-7-16(12)13(10)17;/h5-6,8H,2-4,7H2,1H3;1H.
What are the key properties of ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride?
ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride has a molecular weight of 294.74 g/mol, XLogP of 1.94, 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-6-carboxylate;hydrochloride is sourced from PubChem (CID 13171282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).