7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

C19H16FNO4S — CID 58147550

IUPAC7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1cc2c(c(F)c1OC)CCn1c(C(=O)O)cc(-c3cccs3)c1-2
InChIInChI=1S/C19H16FNO4S/c1-24-14-9-11-10(16(20)18(14)25-2)5-6-21-13(19(22)23)8-12(17(11)21)15-4-3-7-26-15/h3-4,7-9H,5-6H2,1-2H3,(H,22,23)
InChIKeyQRXZRDNNTOABFS-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.29
Rot. Bonds4

About 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 58147550) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
PubChem CID58147550
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1cc2c(c(F)c1OC)CCn1c(C(=O)O)cc(-c3cccs3)c1-2
InChIInChI=1S/C19H16FNO4S/c1-24-14-9-11-10(16(20)18(14)25-2)5-6-21-13(19(22)23)8-12(17(11)21)15-4-3-7-26-15/h3-4,7-9H,5-6H2,1-2H3,(H,22,23)
InChIKeyQRXZRDNNTOABFS-UHFFFAOYSA-N
XLogP4.29
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (CID 58147550) is 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is COc1cc2c(c(F)c1OC)CCn1c(C(=O)O)cc(-c3cccs3)c1-2.
What is the InChIKey of 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The InChIKey is QRXZRDNNTOABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-24-14-9-11-10(16(20)18(14)25-2)5-6-21-13(19(22)23)8-12(17(11)21)15-4-3-7-26-15/h3-4,7-9H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 58147550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).