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

C19H16FNO4S — CID 142763671

IUPAC10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1cc2c(c(F)c1OC)-c1c(-c3ccsc3)cc(C(=O)O)n1CC2
InChIInChI=1S/C19H16FNO4S/c1-24-14-7-10-3-5-21-13(19(22)23)8-12(11-4-6-26-9-11)17(21)15(10)16(20)18(14)25-2/h4,6-9H,3,5H2,1-2H3,(H,22,23)
InChIKeyRKDZICQTDIRJOK-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.29
Rot. Bonds4

About 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 142763671) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
PubChem CID142763671
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1cc2c(c(F)c1OC)-c1c(-c3ccsc3)cc(C(=O)O)n1CC2
InChIInChI=1S/C19H16FNO4S/c1-24-14-7-10-3-5-21-13(19(22)23)8-12(11-4-6-26-9-11)17(21)15(10)16(20)18(14)25-2/h4,6-9H,3,5H2,1-2H3,(H,22,23)
InChIKeyRKDZICQTDIRJOK-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 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The IUPAC name of 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (CID 142763671) is 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The canonical SMILES for 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is COc1cc2c(c(F)c1OC)-c1c(-c3ccsc3)cc(C(=O)O)n1CC2.
What is the InChIKey of 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The InChIKey is RKDZICQTDIRJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-24-14-7-10-3-5-21-13(19(22)23)8-12(11-4-6-26-9-11)17(21)15(10)16(20)18(14)25-2/h4,6-9H,3,5H2,1-2H3,(H,22,23).
What are the key properties of 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
10-fluoro-8,9-dimethoxy-1-thiophen-3-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 10-fluoro-8,9-dimethoxy-1-thiophen-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 142763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).