3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one

C28H27FN4O2 — CID 118125458

IUPAC3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one
SMILESCC1(C)N=C(c2ccc(-c3ccc4ncccc4c3)cc2F)N(CC2CN(C(=O)C3CC3)C2)C1=O
InChIInChI=1S/C28H27FN4O2/c1-28(2)27(35)33(16-17-14-32(15-17)26(34)18-5-6-18)25(31-28)22-9-7-20(13-23(22)29)19-8-10-24-21(12-19)4-3-11-30-24/h3-4,7-13,17-18H,5-6,14-16H2,1-2H3
InChIKeyPRWVSYIWSONQHK-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.28
Rot. Bonds5

About 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one

3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one (PubChem CID 118125458) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one
PubChem CID118125458
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one
SMILESCC1(C)N=C(c2ccc(-c3ccc4ncccc4c3)cc2F)N(CC2CN(C(=O)C3CC3)C2)C1=O
InChIInChI=1S/C28H27FN4O2/c1-28(2)27(35)33(16-17-14-32(15-17)26(34)18-5-6-18)25(31-28)22-9-7-20(13-23(22)29)19-8-10-24-21(12-19)4-3-11-30-24/h3-4,7-13,17-18H,5-6,14-16H2,1-2H3
InChIKeyPRWVSYIWSONQHK-UHFFFAOYSA-N
XLogP4.28
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one (CID 118125458) is 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one is CC1(C)N=C(c2ccc(-c3ccc4ncccc4c3)cc2F)N(CC2CN(C(=O)C3CC3)C2)C1=O.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one?
The InChIKey is PRWVSYIWSONQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-28(2)27(35)33(16-17-14-32(15-17)26(34)18-5-6-18)25(31-28)22-9-7-20(13-23(22)29)19-8-10-24-21(12-19)4-3-11-30-24/h3-4,7-13,17-18H,5-6,14-16H2,1-2H3.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one?
3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one has a molecular weight of 470.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-2-(2-fluoro-4-quinolin-6-ylphenyl)-5,5-dimethylimidazol-4-one is sourced from PubChem (CID 118125458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).