3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one

C19H23N3O3 — CID 136711453

IUPAC3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCCCCn1nc(-c2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1C
InChIInChI=1S/C19H23N3O3/c1-5-6-7-22-12(2)8-16(21-22)14-9-13-10-17(24-3)18(25-4)11-15(13)20-19(14)23/h8-11H,5-7H2,1-4H3,(H,20,23)
InChIKeyVSGWHZLDANKHCI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.52
Rot. Bonds6

About 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one

3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 136711453) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID136711453
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCCCCn1nc(-c2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1C
InChIInChI=1S/C19H23N3O3/c1-5-6-7-22-12(2)8-16(21-22)14-9-13-10-17(24-3)18(25-4)11-15(13)20-19(14)23/h8-11H,5-7H2,1-4H3,(H,20,23)
InChIKeyVSGWHZLDANKHCI-UHFFFAOYSA-N
XLogP3.52
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-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 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one (CID 136711453) is 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one is CCCCn1nc(-c2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1C.
What is the InChIKey of 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is VSGWHZLDANKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-6-7-22-12(2)8-16(21-22)14-9-13-10-17(24-3)18(25-4)11-15(13)20-19(14)23/h8-11H,5-7H2,1-4H3,(H,20,23).
What are the key properties of 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one?
3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-5-methylpyrazol-3-yl)-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 136711453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).