1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one

C15H17N3O3 — CID 14738823

IUPAC1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
SMILESCOc1cc2ncnc(N3CCC(=O)CC3)c2cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-13-7-11-12(8-14(13)21-2)16-9-17-15(11)18-5-3-10(19)4-6-18/h7-9H,3-6H2,1-2H3
InChIKeyPZHWXCGXKMISHV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.82
Rot. Bonds3

About 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one

1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one (PubChem CID 14738823) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
PubChem CID14738823
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
SMILESCOc1cc2ncnc(N3CCC(=O)CC3)c2cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-13-7-11-12(8-14(13)21-2)16-9-17-15(11)18-5-3-10(19)4-6-18/h7-9H,3-6H2,1-2H3
InChIKeyPZHWXCGXKMISHV-UHFFFAOYSA-N
XLogP1.82
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one?
The IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one (CID 14738823) is 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one is COc1cc2ncnc(N3CCC(=O)CC3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one?
The InChIKey is PZHWXCGXKMISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-7-11-12(8-14(13)21-2)16-9-17-15(11)18-5-3-10(19)4-6-18/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one?
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one has a molecular weight of 287.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one is sourced from PubChem (CID 14738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).