ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride

C19H23ClN2O4 — CID 70615361

IUPACethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2n(c1)CN(C(C)C(=O)OCC)c1ccccc1-2.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-4-24-18(22)13(3)21-12-20-11-14(19(23)25-5-2)10-17(20)15-8-6-7-9-16(15)21;/h6-11,13H,4-5,12H2,1-3H3;1H
InChIKeyXGPMPFYETSVSOJ-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.48
Rot. Bonds5

About ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride

ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride (PubChem CID 70615361) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride
PubChem CID70615361
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Nameethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2n(c1)CN(C(C)C(=O)OCC)c1ccccc1-2.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-4-24-18(22)13(3)21-12-20-11-14(19(23)25-5-2)10-17(20)15-8-6-7-9-16(15)21;/h6-11,13H,4-5,12H2,1-3H3;1H
InChIKeyXGPMPFYETSVSOJ-UHFFFAOYSA-N
XLogP3.48
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride with MolForge

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Related Compounds

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ethyl fluoranthene-2-carboxylate
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ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride (CID 70615361) is ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride is CCOC(=O)c1cc2n(c1)CN(C(C)C(=O)OCC)c1ccccc1-2.Cl.
What is the InChIKey of ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride?
The InChIKey is XGPMPFYETSVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.ClH/c1-4-24-18(22)13(3)21-12-20-11-14(19(23)25-5-2)10-17(20)15-8-6-7-9-16(15)21;/h6-11,13H,4-5,12H2,1-3H3;1H.
What are the key properties of ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride?
ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-ethoxy-1-oxopropan-2-yl)-5H-pyrrolo[1,2-c]quinazoline-2-carboxylate;hydrochloride is sourced from PubChem (CID 70615361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).