8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid

C19H16N2O3 — CID 89464697

IUPAC8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
SMILESCOc1cc2c(cc1-c1cccnc1)-c1cc(C(=O)O)cn1CC2
InChIInChI=1S/C19H16N2O3/c1-24-18-8-12-4-6-21-11-14(19(22)23)7-17(21)15(12)9-16(18)13-3-2-5-20-10-13/h2-3,5,7-11H,4,6H2,1H3,(H,22,23)
InChIKeyFVXYHDYIDSMPLT-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.48
Rot. Bonds3

About 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid

8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid (PubChem CID 89464697) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
PubChem CID89464697
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
SMILESCOc1cc2c(cc1-c1cccnc1)-c1cc(C(=O)O)cn1CC2
InChIInChI=1S/C19H16N2O3/c1-24-18-8-12-4-6-21-11-14(19(22)23)7-17(21)15(12)9-16(18)13-3-2-5-20-10-13/h2-3,5,7-11H,4,6H2,1H3,(H,22,23)
InChIKeyFVXYHDYIDSMPLT-UHFFFAOYSA-N
XLogP3.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-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 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?
The IUPAC name of 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid (CID 89464697) is 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?
The canonical SMILES for 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid is COc1cc2c(cc1-c1cccnc1)-c1cc(C(=O)O)cn1CC2.
What is the InChIKey of 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?
The InChIKey is FVXYHDYIDSMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-18-8-12-4-6-21-11-14(19(22)23)7-17(21)15(12)9-16(18)13-3-2-5-20-10-13/h2-3,5,7-11H,4,6H2,1H3,(H,22,23).
What are the key properties of 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?
8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 89464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).