1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid

C16H18N2O2 — CID 106766543

IUPAC1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
SMILESCN(c1ncc(C(=O)O)c2ccccc12)C1CCCC1
InChIInChI=1S/C16H18N2O2/c1-18(11-6-2-3-7-11)15-13-9-5-4-8-12(13)14(10-17-15)16(19)20/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyAZSQFECLSNRNNL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.31
Rot. Bonds3

About 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid

1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid (PubChem CID 106766543) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
PubChem CID106766543
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
SMILESCN(c1ncc(C(=O)O)c2ccccc12)C1CCCC1
InChIInChI=1S/C16H18N2O2/c1-18(11-6-2-3-7-11)15-13-9-5-4-8-12(13)14(10-17-15)16(19)20/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyAZSQFECLSNRNNL-UHFFFAOYSA-N
XLogP3.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034377
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
1-[methyl(1-methylsulfanylbutan-2-yl)amino]isoquinoline-4-carboxylic acid
CID 106767444
1-[methyl(2-propan-2-yloxyethyl)amino]isoquinoline-4-carboxylic acid
CID 106767321
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
1-[propan-2-yl(prop-2-enyl)amino]isoquinoline-4-carboxylic acid
CID 106767371
2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146311
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid?
The IUPAC name of 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid (CID 106766543) is 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid?
The canonical SMILES for 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid is CN(c1ncc(C(=O)O)c2ccccc12)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid?
The InChIKey is AZSQFECLSNRNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(11-6-2-3-7-11)15-13-9-5-4-8-12(13)14(10-17-15)16(19)20/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid?
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid is sourced from PubChem (CID 106766543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).