6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one

C15H20N4O — CID 141376185

IUPAC6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one
SMILESCc1nc2ccc(CN)cc2c(=O)n1C1CCCNC1
InChIInChI=1S/C15H20N4O/c1-10-18-14-5-4-11(8-16)7-13(14)15(20)19(10)12-3-2-6-17-9-12/h4-5,7,12,17H,2-3,6,8-9,16H2,1H3
InChIKeyGBCSPPXRYVNHNF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.09
Rot. Bonds2

About 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one

6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one (PubChem CID 141376185) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one
PubChem CID141376185
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one
SMILESCc1nc2ccc(CN)cc2c(=O)n1C1CCCNC1
InChIInChI=1S/C15H20N4O/c1-10-18-14-5-4-11(8-16)7-13(14)15(20)19(10)12-3-2-6-17-9-12/h4-5,7,12,17H,2-3,6,8-9,16H2,1H3
InChIKeyGBCSPPXRYVNHNF-UHFFFAOYSA-N
XLogP1.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one?
The IUPAC name of 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one (CID 141376185) is 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one?
The canonical SMILES for 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one is Cc1nc2ccc(CN)cc2c(=O)n1C1CCCNC1.
What is the InChIKey of 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one?
The InChIKey is GBCSPPXRYVNHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-18-14-5-4-11(8-16)7-13(14)15(20)19(10)12-3-2-6-17-9-12/h4-5,7,12,17H,2-3,6,8-9,16H2,1H3.
What are the key properties of 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one?
6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one has a molecular weight of 272.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one is sourced from PubChem (CID 141376185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).