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

C18H21N3O2 — CID 68946315

IUPAC7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3cnn(CC(C)C)c3)[nH]c2c1C
InChIInChI=1S/C18H21N3O2/c1-11(2)9-21-10-13(8-19-21)15-7-16(22)14-5-6-17(23-4)12(3)18(14)20-15/h5-8,10-11H,9H2,1-4H3,(H,20,22)
InChIKeyXWGOPKMVXREGIP-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.36
Rot. Bonds4

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

7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one (PubChem CID 68946315) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one
PubChem CID68946315
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3cnn(CC(C)C)c3)[nH]c2c1C
InChIInChI=1S/C18H21N3O2/c1-11(2)9-21-10-13(8-19-21)15-7-16(22)14-5-6-17(23-4)12(3)18(14)20-15/h5-8,10-11H,9H2,1-4H3,(H,20,22)
InChIKeyXWGOPKMVXREGIP-UHFFFAOYSA-N
XLogP3.36
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.36
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-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one (CID 68946315) is 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3cnn(CC(C)C)c3)[nH]c2c1C.
What is the InChIKey of 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one?
The InChIKey is XWGOPKMVXREGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)9-21-10-13(8-19-21)15-7-16(22)14-5-6-17(23-4)12(3)18(14)20-15/h5-8,10-11H,9H2,1-4H3,(H,20,22).
What are the key properties of 7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one?
7-methoxy-8-methyl-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one has a molecular weight of 311.39 g/mol, XLogP of 3.36, 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-(2-methylpropyl)pyrazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 68946315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).