3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one

C25H27N5O3 — CID 139800859

IUPAC3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one
SMILESCOc1cc2ncnc(N3CCC(Cn4cnc5ccc(C)cc5c4=O)CC3)c2cc1OC
InChIInChI=1S/C25H27N5O3/c1-16-4-5-20-19(10-16)25(31)30(15-28-20)13-17-6-8-29(9-7-17)24-18-11-22(32-2)23(33-3)12-21(18)26-14-27-24/h4-5,10-12,14-15,17H,6-9,13H2,1-3H3
InChIKeyVZVUCIZUIWUVSU-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.58
Rot. Bonds5

About 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one

3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one (PubChem CID 139800859) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one
PubChem CID139800859
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one
SMILESCOc1cc2ncnc(N3CCC(Cn4cnc5ccc(C)cc5c4=O)CC3)c2cc1OC
InChIInChI=1S/C25H27N5O3/c1-16-4-5-20-19(10-16)25(31)30(15-28-20)13-17-6-8-29(9-7-17)24-18-11-22(32-2)23(33-3)12-21(18)26-14-27-24/h4-5,10-12,14-15,17H,6-9,13H2,1-3H3
InChIKeyVZVUCIZUIWUVSU-UHFFFAOYSA-N
XLogP3.58
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one with MolForge

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Related Compounds

1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methylquinazoline-2,4-dione
CID 22923409
3-[1-(6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 22923353
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
2-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
CID 14792207
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942420
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one?
The IUPAC name of 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one (CID 139800859) is 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one.
What is the SMILES notation for 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one?
The canonical SMILES for 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one is COc1cc2ncnc(N3CCC(Cn4cnc5ccc(C)cc5c4=O)CC3)c2cc1OC.
What is the InChIKey of 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one?
The InChIKey is VZVUCIZUIWUVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-4-5-20-19(10-16)25(31)30(15-28-20)13-17-6-8-29(9-7-17)24-18-11-22(32-2)23(33-3)12-21(18)26-14-27-24/h4-5,10-12,14-15,17H,6-9,13H2,1-3H3.
What are the key properties of 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one?
3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one has a molecular weight of 445.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one is sourced from PubChem (CID 139800859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).