8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione

C24H24ClN5O4 — CID 22923428

IUPAC8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione
SMILESCOc1cc2ncnc(N3CCC(n4c(=O)c5cccc(Cl)c5n(C)c4=O)CC3)c2cc1OC
InChIInChI=1S/C24H24ClN5O4/c1-28-21-15(5-4-6-17(21)25)23(31)30(24(28)32)14-7-9-29(10-8-14)22-16-11-19(33-2)20(34-3)12-18(16)26-13-27-22/h4-6,11-14H,7-10H2,1-3H3
InChIKeyJSSYFGWADZUJIO-UHFFFAOYSA-N
MW481.94 g/mol
LogP3.16
Rot. Bonds4

About 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione

8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione (PubChem CID 22923428) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione
PubChem CID22923428
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione
SMILESCOc1cc2ncnc(N3CCC(n4c(=O)c5cccc(Cl)c5n(C)c4=O)CC3)c2cc1OC
InChIInChI=1S/C24H24ClN5O4/c1-28-21-15(5-4-6-17(21)25)23(31)30(24(28)32)14-7-9-29(10-8-14)22-16-11-19(33-2)20(34-3)12-18(16)26-13-27-22/h4-6,11-14H,7-10H2,1-3H3
InChIKeyJSSYFGWADZUJIO-UHFFFAOYSA-N
XLogP3.16
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione 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-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436
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
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-propylquinazoline-2,4-dione
CID 22923556
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-(2-methylpropyl)-6-nitroquinazoline-2,4-dione
CID 22923465
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-prop-2-enylquinazoline-2,4-dione
CID 22923413
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
2-[1-(6-chloro-7-methoxyquinazolin-4-yl)piperidin-4-yl]ethanethiol
CID 157040643
5-bromo-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785951
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione?
The IUPAC name of 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione (CID 22923428) is 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione?
The canonical SMILES for 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione is COc1cc2ncnc(N3CCC(n4c(=O)c5cccc(Cl)c5n(C)c4=O)CC3)c2cc1OC.
What is the InChIKey of 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione?
The InChIKey is JSSYFGWADZUJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c1-28-21-15(5-4-6-17(21)25)23(31)30(24(28)32)14-7-9-29(10-8-14)22-16-11-19(33-2)20(34-3)12-18(16)26-13-27-22/h4-6,11-14H,7-10H2,1-3H3.
What are the key properties of 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione?
8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione has a molecular weight of 481.94 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 22923428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).