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

C19H23N3O — CID 118577933

IUPAC2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(CC3CC3)nc-2c2ccccc21
InChIInChI=1S/C19H23N3O/c1-2-3-6-11-21-13-16-18(15-7-4-5-8-17(15)21)20-22(19(16)23)12-14-9-10-14/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3
InChIKeyQYKFRSKQKNACOS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.90
Rot. Bonds6

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

2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 118577933) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
PubChem CID118577933
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(CC3CC3)nc-2c2ccccc21
InChIInChI=1S/C19H23N3O/c1-2-3-6-11-21-13-16-18(15-7-4-5-8-17(15)21)20-22(19(16)23)12-14-9-10-14/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3
InChIKeyQYKFRSKQKNACOS-UHFFFAOYSA-N
XLogP3.90
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.90
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-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one (CID 118577933) is 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one is CCCCCn1cc2c(=O)n(CC3CC3)nc-2c2ccccc21.
What is the InChIKey of 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is QYKFRSKQKNACOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-6-11-21-13-16-18(15-7-4-5-8-17(15)21)20-22(19(16)23)12-14-9-10-14/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one?
2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 309.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118577933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).