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

C23H31N3O — CID 118577980

IUPAC2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(CCC3CCCCC3)nc-2c2ccccc21
InChIInChI=1S/C23H31N3O/c1-2-3-9-15-25-17-20-22(19-12-7-8-13-21(19)25)24-26(23(20)27)16-14-18-10-5-4-6-11-18/h7-8,12-13,17-18H,2-6,9-11,14-16H2,1H3
InChIKeyMPTQSKVDQGUFJB-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.46
Rot. Bonds7

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

2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 118577980) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
PubChem CID118577980
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(CCC3CCCCC3)nc-2c2ccccc21
InChIInChI=1S/C23H31N3O/c1-2-3-9-15-25-17-20-22(19-12-7-8-13-21(19)25)24-26(23(20)27)16-14-18-10-5-4-6-11-18/h7-8,12-13,17-18H,2-6,9-11,14-16H2,1H3
InChIKeyMPTQSKVDQGUFJB-UHFFFAOYSA-N
XLogP5.46
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one (CID 118577980) is 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one is CCCCCn1cc2c(=O)n(CCC3CCCCC3)nc-2c2ccccc21.
What is the InChIKey of 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is MPTQSKVDQGUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-3-9-15-25-17-20-22(19-12-7-8-13-21(19)25)24-26(23(20)27)16-14-18-10-5-4-6-11-18/h7-8,12-13,17-18H,2-6,9-11,14-16H2,1H3.
What are the key properties of 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 365.52 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118577980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).