1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one

C19H19NO2 — CID 53322215

IUPAC1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one
SMILESCC(C)Oc1ccc(-c2cc(=O)c3ccccc3n2C)cc1
InChIInChI=1S/C19H19NO2/c1-13(2)22-15-10-8-14(9-11-15)18-12-19(21)16-6-4-5-7-17(16)20(18)3/h4-13H,1-3H3
InChIKeyGTZGPOVCODXPEA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.99
Rot. Bonds3

About 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one

1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one (PubChem CID 53322215) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one
PubChem CID53322215
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one
SMILESCC(C)Oc1ccc(-c2cc(=O)c3ccccc3n2C)cc1
InChIInChI=1S/C19H19NO2/c1-13(2)22-15-10-8-14(9-11-15)18-12-19(21)16-6-4-5-7-17(16)20(18)3/h4-13H,1-3H3
InChIKeyGTZGPOVCODXPEA-UHFFFAOYSA-N
XLogP3.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one?
The IUPAC name of 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one (CID 53322215) is 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one?
The canonical SMILES for 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one is CC(C)Oc1ccc(-c2cc(=O)c3ccccc3n2C)cc1.
What is the InChIKey of 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one?
The InChIKey is GTZGPOVCODXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(2)22-15-10-8-14(9-11-15)18-12-19(21)16-6-4-5-7-17(16)20(18)3/h4-13H,1-3H3.
What are the key properties of 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one?
1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one is sourced from PubChem (CID 53322215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).