6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one

C48H57FN8O5 — CID 158991658

IUPAC6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc2ccccc2n(C)c1=O.CC(C)n1c(=O)c2ccncc2n(C)c1=O.CC(C)n1c(=O)n(C)c2cccnc21.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12
InChIInChI=1S/C14H16FNO.C13H15NO.C11H13N3O2.C10H13N3O/c1-8(2)13-9(3)11-7-10(15)5-6-12(11)16(4)14(13)17;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-7(2)14-10(15)8-4-5-12-6-9(8)13(3)11(14)16;1-7(2)13-9-8(5-4-6-11-9)12(3)10(13)14/h5-8H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyJQFSLLQJFSCZPM-UHFFFAOYSA-N
MW845.03 g/mol
LogP7.76
Rot. Bonds4

About 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one

6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one (PubChem CID 158991658) has the molecular formula C48H57FN8O5 and a molecular weight of 845.03 g/mol. Its IUPAC name is 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one
PubChem CID158991658
Molecular FormulaC48H57FN8O5
Molecular Weight845.03 g/mol
Exact Mass844.44
IUPAC Name6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc2ccccc2n(C)c1=O.CC(C)n1c(=O)c2ccncc2n(C)c1=O.CC(C)n1c(=O)n(C)c2cccnc21.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12
InChIInChI=1S/C14H16FNO.C13H15NO.C11H13N3O2.C10H13N3O/c1-8(2)13-9(3)11-7-10(15)5-6-12(11)16(4)14(13)17;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-7(2)14-10(15)8-4-5-12-6-9(8)13(3)11(14)16;1-7(2)13-9-8(5-4-6-11-9)12(3)10(13)14/h5-8H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyJQFSLLQJFSCZPM-UHFFFAOYSA-N
XLogP7.76
TPSA140.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.03
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one with MolForge

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Related Compounds

1-(3,5-difluorophenyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
CID 58863137
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 101374170
6-propan-2-ylbenzo[c][2,7]naphthyridin-5-one
CID 154465601
1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
CID 146615672
6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630373
6-fluoro-2-phenyl-1-propan-2-ylquinazolin-4-one
CID 13064641
ethane;methane;4-methyl-2-propan-2-ylpyrido[1,2-c]pyrimidine-1,3-dione;1-methyl-3-propan-2-ylquinazoline-2,4-dione
CID 161338968
8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one
CID 167843085
2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84625979
3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
CID 116985134
5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581660

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one?
The IUPAC name of 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one (CID 158991658) is 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one.
What is the SMILES notation for 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one?
The canonical SMILES for 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one is CC(C)c1cc2ccccc2n(C)c1=O.CC(C)n1c(=O)c2ccncc2n(C)c1=O.CC(C)n1c(=O)n(C)c2cccnc21.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one?
The InChIKey is JQFSLLQJFSCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO.C13H15NO.C11H13N3O2.C10H13N3O/c1-8(2)13-9(3)11-7-10(15)5-6-12(11)16(4)14(13)17;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-7(2)14-10(15)8-4-5-12-6-9(8)13(3)11(14)16;1-7(2)13-9-8(5-4-6-11-9)12(3)10(13)14/h5-8H,1-4H3;4-9H,1-3H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one?
6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one has a molecular weight of 845.03 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-one;1-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidine-2,4-dione;1-methyl-3-propan-2-ylquinolin-2-one is sourced from PubChem (CID 158991658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).