6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one

C15H19N3O3 — CID 135853225

IUPAC6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
SMILESCOc1cc2nc(C3CCNCC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C15H19N3O3/c1-20-12-7-10-11(8-13(12)21-2)17-14(18-15(10)19)9-3-5-16-6-4-9/h7-9,16H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyXJDLTGUPQZSZER-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.41
Rot. Bonds3

About 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one

6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one (PubChem CID 135853225) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
PubChem CID135853225
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
SMILESCOc1cc2nc(C3CCNCC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C15H19N3O3/c1-20-12-7-10-11(8-13(12)21-2)17-14(18-15(10)19)9-3-5-16-6-4-9/h7-9,16H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyXJDLTGUPQZSZER-UHFFFAOYSA-N
XLogP1.41
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-3-methylcyclobutyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136506679
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
2-[[3-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,2-dimethylcyclobutyl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 170908468
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one
CID 137290427
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one (CID 135853225) is 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one is COc1cc2nc(C3CCNCC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one?
The InChIKey is XJDLTGUPQZSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-12-7-10-11(8-13(12)21-2)17-14(18-15(10)19)9-3-5-16-6-4-9/h7-9,16H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one?
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135853225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).