3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid

C15H16N2O3 — CID 61342452

IUPAC3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
SMILESO=C(O)c1nn(CC2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14-12-8-4-3-7-11(12)13(15(19)20)16-17(14)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)
InChIKeyPUTNOIBLNXOSQS-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.28
Rot. Bonds3

About 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid

3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid (PubChem CID 61342452) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
PubChem CID61342452
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
SMILESO=C(O)c1nn(CC2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14-12-8-4-3-7-11(12)13(15(19)20)16-17(14)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)
InChIKeyPUTNOIBLNXOSQS-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopentylmethyl)-4-oxophthalazine-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

Related Compounds

3-[2-(N-cyclohexylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539167
1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid
CID 68967350
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2386911
3-(2-ethoxyethyl)-4-oxophthalazine-1-carboxylic acid
CID 43398130
4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365892
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
3-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539250
3-[(E)-3-chloroprop-2-enyl]-4-oxophthalazine-1-carboxylic acid
CID 43398131
3-[2-(methylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2363202
3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 5304395

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid?
The IUPAC name of 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid (CID 61342452) is 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid.
What is the SMILES notation for 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid?
The canonical SMILES for 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid is O=C(O)c1nn(CC2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid?
The InChIKey is PUTNOIBLNXOSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14-12-8-4-3-7-11(12)13(15(19)20)16-17(14)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20).
What are the key properties of 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid?
3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid is sourced from PubChem (CID 61342452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).