4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one

C15H21N3O — CID 16584108

IUPAC4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCCCC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C15H21N3O/c1-10-8-12-14(13(19)9-10)11(2)16-15(17-12)18-6-4-3-5-7-18/h10H,3-9H2,1-2H3
InChIKeyOPCQRQBBWIGCHO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds1

About 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one

4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584108) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584108
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCCCC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C15H21N3O/c1-10-8-12-14(13(19)9-10)11(2)16-15(17-12)18-6-4-3-5-7-18/h10H,3-9H2,1-2H3
InChIKeyOPCQRQBBWIGCHO-UHFFFAOYSA-N
XLogP2.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one (CID 16584108) is 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCCCC2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is OPCQRQBBWIGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-8-12-14(13(19)9-10)11(2)16-15(17-12)18-6-4-3-5-7-18/h10H,3-9H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one?
4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 259.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-piperidin-1-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).