3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione

C23H23N5O4 — CID 14668436

IUPAC3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCOc1cc2ncnc(N3CCC(n4c(=O)[nH]c5ccccc5c4=O)CC3)c2cc1OC
InChIInChI=1S/C23H23N5O4/c1-31-19-11-16-18(12-20(19)32-2)24-13-25-21(16)27-9-7-14(8-10-27)28-22(29)15-5-3-4-6-17(15)26-23(28)30/h3-6,11-14H,7-10H2,1-2H3,(H,26,30)
InChIKeyOKBPWDPKWFFLCO-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.49
Rot. Bonds4

About 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione

3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 14668436) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID14668436
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCOc1cc2ncnc(N3CCC(n4c(=O)[nH]c5ccccc5c4=O)CC3)c2cc1OC
InChIInChI=1S/C23H23N5O4/c1-31-19-11-16-18(12-20(19)32-2)24-13-25-21(16)27-9-7-14(8-10-27)28-22(29)15-5-3-4-6-17(15)26-23(28)30/h3-6,11-14H,7-10H2,1-2H3,(H,26,30)
InChIKeyOKBPWDPKWFFLCO-UHFFFAOYSA-N
XLogP2.49
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

5-bromo-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785951
8-chloro-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-methylquinazoline-2,4-dione
CID 22923428
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
CID 14738824
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methylquinazoline-2,4-dione
CID 22923409
6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 139785898
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-(2-methylpropyl)-6-nitroquinazoline-2,4-dione
CID 22923465
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-propylquinazoline-2,4-dione
CID 22923556
3-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785905
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
3-[1-(6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 22923353
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 14668436) is 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione is COc1cc2ncnc(N3CCC(n4c(=O)[nH]c5ccccc5c4=O)CC3)c2cc1OC.
What is the InChIKey of 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is OKBPWDPKWFFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-31-19-11-16-18(12-20(19)32-2)24-13-25-21(16)27-9-7-14(8-10-27)28-22(29)15-5-3-4-6-17(15)26-23(28)30/h3-6,11-14H,7-10H2,1-2H3,(H,26,30).
What are the key properties of 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 433.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 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]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 14668436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).