7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one

C23H22N2O2 — CID 71182198

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one
SMILESCc1ccccc1Cn1c(C)cc(=O)c2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C23H22N2O2/c1-14-7-5-6-8-19(14)13-25-15(2)11-22(26)20-10-9-18(12-21(20)25)23-16(3)24-27-17(23)4/h5-12H,13H2,1-4H3
InChIKeyFYYCWPFFURBFJT-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.94
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one (PubChem CID 71182198) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one
PubChem CID71182198
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one
SMILESCc1ccccc1Cn1c(C)cc(=O)c2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C23H22N2O2/c1-14-7-5-6-8-19(14)13-25-15(2)11-22(26)20-10-9-18(12-21(20)25)23-16(3)24-27-17(23)4/h5-12H,13H2,1-4H3
InChIKeyFYYCWPFFURBFJT-UHFFFAOYSA-N
XLogP4.94
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one (CID 71182198) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one is Cc1ccccc1Cn1c(C)cc(=O)c2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one?
The InChIKey is FYYCWPFFURBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-14-7-5-6-8-19(14)13-25-15(2)11-22(26)20-10-9-18(12-21(20)25)23-16(3)24-27-17(23)4/h5-12H,13H2,1-4H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2-methylphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 71182198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).