dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate

C16H13NO4 — CID 15349507

IUPACdimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c3ccccc3ccn2c1C(=O)OC
InChIInChI=1S/C16H13NO4/c1-20-15(18)12-9-13-11-6-4-3-5-10(11)7-8-17(13)14(12)16(19)21-2/h3-9H,1-2H3
InChIKeyOBUFWCBLLCBANT-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.67
Rot. Bonds2

About dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate

dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate (PubChem CID 15349507) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
PubChem CID15349507
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namedimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c3ccccc3ccn2c1C(=O)OC
InChIInChI=1S/C16H13NO4/c1-20-15(18)12-9-13-11-6-4-3-5-10(11)7-8-17(13)14(12)16(19)21-2/h3-9H,1-2H3
InChIKeyOBUFWCBLLCBANT-UHFFFAOYSA-N
XLogP2.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1-methoxycarbonylpyrrolo[2,1-a]isoquinolin-3-yl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 25189390
methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287162
methyl 3-phenylpyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287158
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 155927218
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
ethyl 2-(4-propan-2-ylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 50901616
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
dimethyl 3-[2-(dimethylamino)acetyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
CID 170895678
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609

Frequently Asked Questions

What is the IUPAC name of dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate (CID 15349507) is dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate is COC(=O)c1cc2c3ccccc3ccn2c1C(=O)OC.
What is the InChIKey of dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate?
The InChIKey is OBUFWCBLLCBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-15(18)12-9-13-11-6-4-3-5-10(11)7-8-17(13)14(12)16(19)21-2/h3-9H,1-2H3.
What are the key properties of dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate?
dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate is sourced from PubChem (CID 15349507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).