2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one

C22H29N3O — CID 118577937

IUPAC2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(CC3CCCCC3)nc-2c2ccccc21
InChIInChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3
InChIKeyYVDKLCHAUFGVMV-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.07
Rot. Bonds6

About 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one

2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 118577937) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
PubChem CID118577937
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(CC3CCCCC3)nc-2c2ccccc21
InChIInChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3
InChIKeyYVDKLCHAUFGVMV-UHFFFAOYSA-N
XLogP5.07
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one 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-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one (CID 118577937) is 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one is CCCCCn1cc2c(=O)n(CC3CCCCC3)nc-2c2ccccc21.
What is the InChIKey of 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is YVDKLCHAUFGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 351.49 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118577937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).