7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one

C20H22N4O3S — CID 154581868

IUPAC7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(C(=O)c4scnc4C)CC3)cnc2c1
InChIInChI=1S/C20H22N4O3S/c1-13-18(28-12-22-13)20(26)23-7-5-14(6-8-23)10-24-11-21-17-9-15(27-2)3-4-16(17)19(24)25/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyPBDWMAZTUCNIJJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.72
Rot. Bonds4

About 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one

7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 154581868) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID154581868
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(C(=O)c4scnc4C)CC3)cnc2c1
InChIInChI=1S/C20H22N4O3S/c1-13-18(28-12-22-13)20(26)23-7-5-14(6-8-23)10-24-11-21-17-9-15(27-2)3-4-16(17)19(24)25/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyPBDWMAZTUCNIJJ-UHFFFAOYSA-N
XLogP2.72
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]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

Related Compounds

3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944272
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146080719
7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942957
6-methyl-2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863870
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883158
3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581284

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 154581868) is 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(C(=O)c4scnc4C)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is PBDWMAZTUCNIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-18(28-12-22-13)20(26)23-7-5-14(6-8-23)10-24-11-21-17-9-15(27-2)3-4-16(17)19(24)25/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 398.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 154581868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).