methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride

C13H13ClN2O3 — CID 13105038

IUPACmethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2nc3n(c(=O)c2c1)CCC3.Cl
InChIInChI=1S/C13H12N2O3.ClH/c1-18-13(17)8-4-5-10-9(7-8)12(16)15-6-2-3-11(15)14-10;/h4-5,7H,2-3,6H2,1H3;1H
InChIKeyBVLIAOSRSKYTCC-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.55
Rot. Bonds1

About methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride

methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride (PubChem CID 13105038) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride
PubChem CID13105038
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Namemethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2nc3n(c(=O)c2c1)CCC3.Cl
InChIInChI=1S/C13H12N2O3.ClH/c1-18-13(17)8-4-5-10-9(7-8)12(16)15-6-2-3-11(15)14-10;/h4-5,7H,2-3,6H2,1H3;1H
InChIKeyBVLIAOSRSKYTCC-UHFFFAOYSA-N
XLogP1.55
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride?
The IUPAC name of methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride (CID 13105038) is methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride.
What is the SMILES notation for methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride?
The canonical SMILES for methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride is COC(=O)c1ccc2nc3n(c(=O)c2c1)CCC3.Cl.
What is the InChIKey of methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride?
The InChIKey is BVLIAOSRSKYTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3.ClH/c1-18-13(17)8-4-5-10-9(7-8)12(16)15-6-2-3-11(15)14-10;/h4-5,7H,2-3,6H2,1H3;1H.
What are the key properties of methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride?
methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride has a molecular weight of 280.71 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride is sourced from PubChem (CID 13105038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).