6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one

C22H22N4O3 — CID 177247561

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C)c(=O)n2Cc1cc(C)ncn1
InChIInChI=1S/C22H22N4O3/c1-12-6-16-8-18(21-14(3)25-29-15(21)4)20(28-5)9-19(16)26(22(12)27)10-17-7-13(2)23-11-24-17/h6-9,11H,10H2,1-5H3
InChIKeyTXJKKTVYFYMVFU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.74
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one (PubChem CID 177247561) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one
PubChem CID177247561
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C)c(=O)n2Cc1cc(C)ncn1
InChIInChI=1S/C22H22N4O3/c1-12-6-16-8-18(21-14(3)25-29-15(21)4)20(28-5)9-19(16)26(22(12)27)10-17-7-13(2)23-11-24-17/h6-9,11H,10H2,1-5H3
InChIKeyTXJKKTVYFYMVFU-UHFFFAOYSA-N
XLogP3.74
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one with MolForge

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232448
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 162170313
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 159154884
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]acetonitrile;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]-N-hydrazinylideneethanimidamide
CID 159166031
2-[1-[2-(4-chlorophenyl)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxoquinolin-3-yl]acetonitrile
CID 118224754
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232414
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 123985108
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 118224630
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158702341
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203476
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 86302790
4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 118340553

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one (CID 177247561) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(C)c(=O)n2Cc1cc(C)ncn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one?
The InChIKey is TXJKKTVYFYMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-12-6-16-8-18(21-14(3)25-29-15(21)4)20(28-5)9-19(16)26(22(12)27)10-17-7-13(2)23-11-24-17/h6-9,11H,10H2,1-5H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one has a molecular weight of 390.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one is sourced from PubChem (CID 177247561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).