7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C19H17N3O2 — CID 171344228

IUPAC7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCc1ccc2c(c1)ncc1c(=O)n(-c3ccc(OC)cc3)[nH]c12
InChIInChI=1S/C19H17N3O2/c1-3-12-4-9-15-17(10-12)20-11-16-18(15)21-22(19(16)23)13-5-7-14(24-2)8-6-13/h4-11,21H,3H2,1-2H3
InChIKeyABRJOVLHBCLIEZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.44
Rot. Bonds3

About 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 171344228) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID171344228
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCc1ccc2c(c1)ncc1c(=O)n(-c3ccc(OC)cc3)[nH]c12
InChIInChI=1S/C19H17N3O2/c1-3-12-4-9-15-17(10-12)20-11-16-18(15)21-22(19(16)23)13-5-7-14(24-2)8-6-13/h4-11,21H,3H2,1-2H3
InChIKeyABRJOVLHBCLIEZ-UHFFFAOYSA-N
XLogP3.44
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 171344228) is 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is CCc1ccc2c(c1)ncc1c(=O)n(-c3ccc(OC)cc3)[nH]c12.
What is the InChIKey of 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is ABRJOVLHBCLIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-12-4-9-15-17(10-12)20-11-16-18(15)21-22(19(16)23)13-5-7-14(24-2)8-6-13/h4-11,21H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 319.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 171344228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).