7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one

C19H23N3O2 — CID 68949467

IUPAC7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3cnn(CCC(C)C)c3)[nH]c2c1C
InChIInChI=1S/C19H23N3O2/c1-12(2)7-8-22-11-14(10-20-22)16-9-17(23)15-5-6-18(24-4)13(3)19(15)21-16/h5-6,9-12H,7-8H2,1-4H3,(H,21,23)
InChIKeyVKMMOGMGQJLCMH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.75
Rot. Bonds5

About 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one

7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one (PubChem CID 68949467) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one
PubChem CID68949467
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3cnn(CCC(C)C)c3)[nH]c2c1C
InChIInChI=1S/C19H23N3O2/c1-12(2)7-8-22-11-14(10-20-22)16-9-17(23)15-5-6-18(24-4)13(3)19(15)21-16/h5-6,9-12H,7-8H2,1-4H3,(H,21,23)
InChIKeyVKMMOGMGQJLCMH-UHFFFAOYSA-N
XLogP3.75
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.75
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-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one (CID 68949467) is 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3cnn(CCC(C)C)c3)[nH]c2c1C.
What is the InChIKey of 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one?
The InChIKey is VKMMOGMGQJLCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)7-8-22-11-14(10-20-22)16-9-17(23)15-5-6-18(24-4)13(3)19(15)21-16/h5-6,9-12H,7-8H2,1-4H3,(H,21,23).
What are the key properties of 7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one?
7-methoxy-8-methyl-2-[1-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one has a molecular weight of 325.41 g/mol, XLogP of 3.75, 5 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-(3-methylbutyl)pyrazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 68949467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).