3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one

C21H24N4O2 — CID 128592698

IUPAC3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]cc(C(=O)N3CC(C)(C)C3c3nccn3C)c(=O)c2c1
InChIInChI=1S/C21H24N4O2/c1-12-8-13(2)16-14(9-12)17(26)15(10-23-16)20(27)25-11-21(3,4)18(25)19-22-6-7-24(19)5/h6-10,18H,11H2,1-5H3,(H,23,26)
InChIKeyKDSYLSJPOMPGPC-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.10
Rot. Bonds2

About 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one

3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one (PubChem CID 128592698) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one
PubChem CID128592698
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]cc(C(=O)N3CC(C)(C)C3c3nccn3C)c(=O)c2c1
InChIInChI=1S/C21H24N4O2/c1-12-8-13(2)16-14(9-12)17(26)15(10-23-16)20(27)25-11-21(3,4)18(25)19-22-6-7-24(19)5/h6-10,18H,11H2,1-5H3,(H,23,26)
InChIKeyKDSYLSJPOMPGPC-UHFFFAOYSA-N
XLogP3.10
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one (CID 128592698) is 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one is Cc1cc(C)c2[nH]cc(C(=O)N3CC(C)(C)C3c3nccn3C)c(=O)c2c1.
What is the InChIKey of 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one?
The InChIKey is KDSYLSJPOMPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-12-8-13(2)16-14(9-12)17(26)15(10-23-16)20(27)25-11-21(3,4)18(25)19-22-6-7-24(19)5/h6-10,18H,11H2,1-5H3,(H,23,26).
What are the key properties of 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one?
3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 128592698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).