4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one

C20H17N3O2 — CID 86093500

IUPAC4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one
SMILESCOc1c(-c2ccnn2-c2ccccc2)c(=O)n(C)c2ccccc12
InChIInChI=1S/C20H17N3O2/c1-22-16-11-7-6-10-15(16)19(25-2)18(20(22)24)17-12-13-21-23(17)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyXAMZRZZUQRIRQZ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.40
Rot. Bonds3

About 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one

4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one (PubChem CID 86093500) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one
PubChem CID86093500
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one
SMILESCOc1c(-c2ccnn2-c2ccccc2)c(=O)n(C)c2ccccc12
InChIInChI=1S/C20H17N3O2/c1-22-16-11-7-6-10-15(16)19(25-2)18(20(22)24)17-12-13-21-23(17)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyXAMZRZZUQRIRQZ-UHFFFAOYSA-N
XLogP3.40
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one (CID 86093500) is 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one is COc1c(-c2ccnn2-c2ccccc2)c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one?
The InChIKey is XAMZRZZUQRIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-22-16-11-7-6-10-15(16)19(25-2)18(20(22)24)17-12-13-21-23(17)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one?
4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one has a molecular weight of 331.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one is sourced from PubChem (CID 86093500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).