2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one

C17H19N3O2 — CID 58252799

IUPAC2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one
SMILESC=C1CC[C@@](C)(n2c(C)nc3cccc(C)c3c2=O)C(=O)N1
InChIInChI=1S/C17H19N3O2/c1-10-6-5-7-13-14(10)15(21)20(12(3)19-13)17(4)9-8-11(2)18-16(17)22/h5-7H,2,8-9H2,1,3-4H3,(H,18,22)/t17-/m1/s1
InChIKeyKSCAOCWMHHOGSK-QGZVFWFLSA-N
MW297.36 g/mol
LogP2.15
Rot. Bonds1

About 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one

2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one (PubChem CID 58252799) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one
PubChem CID58252799
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one
SMILESC=C1CC[C@@](C)(n2c(C)nc3cccc(C)c3c2=O)C(=O)N1
InChIInChI=1S/C17H19N3O2/c1-10-6-5-7-13-14(10)15(21)20(12(3)19-13)17(4)9-8-11(2)18-16(17)22/h5-7H,2,8-9H2,1,3-4H3,(H,18,22)/t17-/m1/s1
InChIKeyKSCAOCWMHHOGSK-QGZVFWFLSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one?
The IUPAC name of 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one (CID 58252799) is 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one?
The canonical SMILES for 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one is C=C1CC[C@@](C)(n2c(C)nc3cccc(C)c3c2=O)C(=O)N1.
What is the InChIKey of 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one?
The InChIKey is KSCAOCWMHHOGSK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-6-5-7-13-14(10)15(21)20(12(3)19-13)17(4)9-8-11(2)18-16(17)22/h5-7H,2,8-9H2,1,3-4H3,(H,18,22)/t17-/m1/s1.
What are the key properties of 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one?
2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 58252799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).