2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid

C19H20N2O3 — CID 82579673

IUPAC2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid
SMILESO=C(O)C1c2ccccc2C(=O)N(C2CCCC2)C1c1ccc[nH]1
InChIInChI=1S/C19H20N2O3/c22-18-14-9-4-3-8-13(14)16(19(23)24)17(15-10-5-11-20-15)21(18)12-6-1-2-7-12/h3-5,8-12,16-17,20H,1-2,6-7H2,(H,23,24)
InChIKeyWIEIVFFSWVVHQZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid

2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid (PubChem CID 82579673) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid
PubChem CID82579673
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid
SMILESO=C(O)C1c2ccccc2C(=O)N(C2CCCC2)C1c1ccc[nH]1
InChIInChI=1S/C19H20N2O3/c22-18-14-9-4-3-8-13(14)16(19(23)24)17(15-10-5-11-20-15)21(18)12-6-1-2-7-12/h3-5,8-12,16-17,20H,1-2,6-7H2,(H,23,24)
InChIKeyWIEIVFFSWVVHQZ-UHFFFAOYSA-N
XLogP3.32
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid (CID 82579673) is 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid is O=C(O)C1c2ccccc2C(=O)N(C2CCCC2)C1c1ccc[nH]1.
What is the InChIKey of 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid?
The InChIKey is WIEIVFFSWVVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18-14-9-4-3-8-13(14)16(19(23)24)17(15-10-5-11-20-15)21(18)12-6-1-2-7-12/h3-5,8-12,16-17,20H,1-2,6-7H2,(H,23,24).
What are the key properties of 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid?
2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-oxo-3-(1H-pyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid is sourced from PubChem (CID 82579673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).