ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate

C21H17NO2 — CID 50901615

IUPACethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc2c3ccccc3ccn12
InChIInChI=1S/C21H17NO2/c1-2-24-21(23)20-18(15-8-4-3-5-9-15)14-19-17-11-7-6-10-16(17)12-13-22(19)20/h3-14H,2H2,1H3
InChIKeyZLOMPAKVQKIHFI-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.94
Rot. Bonds3

About ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate

ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 50901615) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate
PubChem CID50901615
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Nameethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc2c3ccccc3ccn12
InChIInChI=1S/C21H17NO2/c1-2-24-21(23)20-18(15-8-4-3-5-9-15)14-19-17-11-7-6-10-16(17)12-13-22(19)20/h3-14H,2H2,1H3
InChIKeyZLOMPAKVQKIHFI-UHFFFAOYSA-N
XLogP4.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Indocate
CID 65776
Nbbcc
CID 128618
Methyl 3-isoquinolinecarboxylate
CID 725374
(3-Carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate
CID 446979
methyl 1-methyl-1H-indole-2-carboxylate
CID 258548
Trimethyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate
CID 628301
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 14151061
Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate
CID 363114
2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)ethyl benzoate
CID 294609
4-{4-[1-(2-ethoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}benzoic acid
CID 9822631
Ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxylate
CID 10860637
2-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)methyl)benzoic acid
CID 11211919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate (CID 50901615) is ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc2c3ccccc3ccn12.
What is the InChIKey of ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is ZLOMPAKVQKIHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-2-24-21(23)20-18(15-8-4-3-5-9-15)14-19-17-11-7-6-10-16(17)12-13-22(19)20/h3-14H,2H2,1H3.
What are the key properties of ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate?
ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylpyrrolo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 50901615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).