dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate

C16H13ClN2O5 — CID 23239285

IUPACdimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2nc(OC)c3ccccc3n2c1Cl
InChIInChI=1S/C16H13ClN2O5/c1-22-14-8-6-4-5-7-9(8)19-12(17)10(15(20)23-2)11(13(19)18-14)16(21)24-3/h4-7H,1-3H3
InChIKeyQNXHFCLOMSATCI-UHFFFAOYSA-N
MW348.74 g/mol
LogP2.72
Rot. Bonds3

About dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate

dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate (PubChem CID 23239285) has the molecular formula C16H13ClN2O5 and a molecular weight of 348.74 g/mol. Its IUPAC name is dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate
PubChem CID23239285
Molecular FormulaC16H13ClN2O5
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC Namedimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2nc(OC)c3ccccc3n2c1Cl
InChIInChI=1S/C16H13ClN2O5/c1-22-14-8-6-4-5-7-9(8)19-12(17)10(15(20)23-2)11(13(19)18-14)16(21)24-3/h4-7H,1-3H3
InChIKeyQNXHFCLOMSATCI-UHFFFAOYSA-N
XLogP2.72
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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methyl 2-methoxy-1,5-dioxopyrrolo[1,2-a]quinoline-4-carboxylate
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3-methoxyindazole-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate (CID 23239285) is dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate is COC(=O)c1c(C(=O)OC)c2nc(OC)c3ccccc3n2c1Cl.
What is the InChIKey of dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate?
The InChIKey is QNXHFCLOMSATCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5/c1-22-14-8-6-4-5-7-9(8)19-12(17)10(15(20)23-2)11(13(19)18-14)16(21)24-3/h4-7H,1-3H3.
What are the key properties of dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate?
dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate has a molecular weight of 348.74 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate is sourced from PubChem (CID 23239285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).