2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one

C15H19N3O — CID 135465312

IUPAC2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCC1CCCCN1Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O/c1-11-6-4-5-9-18(11)10-14-16-13-8-3-2-7-12(13)15(19)17-14/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17,19)
InChIKeyJKOQEMGETRXOTE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds2

About 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one

2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135465312) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135465312
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCC1CCCCN1Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O/c1-11-6-4-5-9-18(11)10-14-16-13-8-3-2-7-12(13)15(19)17-14/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17,19)
InChIKeyJKOQEMGETRXOTE-UHFFFAOYSA-N
XLogP2.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one (CID 135465312) is 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one is CC1CCCCN1Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is JKOQEMGETRXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-4-5-9-18(11)10-14-16-13-8-3-2-7-12(13)15(19)17-14/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17,19).
What are the key properties of 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135465312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).