7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one

C17H19N3O2 — CID 68944397

IUPAC7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one
SMILESCCCn1cc(-c2cc(=O)c3ccc(OC)c(C)c3[nH]2)cn1
InChIInChI=1S/C17H19N3O2/c1-4-7-20-10-12(9-18-20)14-8-15(21)13-5-6-16(22-3)11(2)17(13)19-14/h5-6,8-10H,4,7H2,1-3H3,(H,19,21)
InChIKeyLHCAHLFEBJUZOA-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.12
Rot. Bonds4

About 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one

7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one (PubChem CID 68944397) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one
PubChem CID68944397
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one
SMILESCCCn1cc(-c2cc(=O)c3ccc(OC)c(C)c3[nH]2)cn1
InChIInChI=1S/C17H19N3O2/c1-4-7-20-10-12(9-18-20)14-8-15(21)13-5-6-16(22-3)11(2)17(13)19-14/h5-6,8-10H,4,7H2,1-3H3,(H,19,21)
InChIKeyLHCAHLFEBJUZOA-UHFFFAOYSA-N
XLogP3.12
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one (CID 68944397) is 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one is CCCn1cc(-c2cc(=O)c3ccc(OC)c(C)c3[nH]2)cn1.
What is the InChIKey of 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one?
The InChIKey is LHCAHLFEBJUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-7-20-10-12(9-18-20)14-8-15(21)13-5-6-16(22-3)11(2)17(13)19-14/h5-6,8-10H,4,7H2,1-3H3,(H,19,21).
What are the key properties of 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one?
7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-methyl-2-(1-propylpyrazol-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 68944397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).