2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

C20H23N3O2 — CID 175819907

IUPAC2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
SMILESCc1cc(N2CCc3cccc(C4CCCN4)c3C2C(=O)O)ccn1
InChIInChI=1S/C20H23N3O2/c1-13-12-15(7-10-21-13)23-11-8-14-4-2-5-16(17-6-3-9-22-17)18(14)19(23)20(24)25/h2,4-5,7,10,12,17,19,22H,3,6,8-9,11H2,1H3,(H,24,25)
InChIKeyYJAYOOZIZONAIT-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (PubChem CID 175819907) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
PubChem CID175819907
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
SMILESCc1cc(N2CCc3cccc(C4CCCN4)c3C2C(=O)O)ccn1
InChIInChI=1S/C20H23N3O2/c1-13-12-15(7-10-21-13)23-11-8-14-4-2-5-16(17-6-3-9-22-17)18(14)19(23)20(24)25/h2,4-5,7,10,12,17,19,22H,3,6,8-9,11H2,1H3,(H,24,25)
InChIKeyYJAYOOZIZONAIT-UHFFFAOYSA-N
XLogP3.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-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 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (CID 175819907) is 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid is Cc1cc(N2CCc3cccc(C4CCCN4)c3C2C(=O)O)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
The InChIKey is YJAYOOZIZONAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-12-15(7-10-21-13)23-11-8-14-4-2-5-16(17-6-3-9-22-17)18(14)19(23)20(24)25/h2,4-5,7,10,12,17,19,22H,3,6,8-9,11H2,1H3,(H,24,25).
What are the key properties of 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid is sourced from PubChem (CID 175819907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).