ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate

C16H15NO4 — CID 54713240

IUPACethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)cc2c3cccc(OC)c3ccn12
InChIInChI=1S/C16H15NO4/c1-3-21-16(19)15-13(18)9-12-10-5-4-6-14(20-2)11(10)7-8-17(12)15/h4-9,18H,3H2,1-2H3
InChIKeyLATUDQFLLKTHRX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.98
Rot. Bonds3

About ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate

ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 54713240) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate
PubChem CID54713240
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)cc2c3cccc(OC)c3ccn12
InChIInChI=1S/C16H15NO4/c1-3-21-16(19)15-13(18)9-12-10-5-4-6-14(20-2)11(10)7-8-17(12)15/h4-9,18H,3H2,1-2H3
InChIKeyLATUDQFLLKTHRX-UHFFFAOYSA-N
XLogP2.98
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-propan-2-ylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 50901616
ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate
CID 22128544
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
CID 122209885
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
diethyl 1-(3,4-dimethoxyphenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71599027
dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 15349507
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate (CID 54713240) is ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1c(O)cc2c3cccc(OC)c3ccn12.
What is the InChIKey of ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is LATUDQFLLKTHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-21-16(19)15-13(18)9-12-10-5-4-6-14(20-2)11(10)7-8-17(12)15/h4-9,18H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate?
ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 54713240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).