7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione

C15H19N3O2 — CID 117262886

IUPAC7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(CC3CCCNC3)c(=O)[nH]c2c1
InChIInChI=1S/C15H19N3O2/c1-10-4-5-12-13(7-10)17-15(20)18(14(12)19)9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,20)
InChIKeyXQWGVAYAMJNSEH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.00
Rot. Bonds2

About 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione

7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione (PubChem CID 117262886) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
PubChem CID117262886
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(CC3CCCNC3)c(=O)[nH]c2c1
InChIInChI=1S/C15H19N3O2/c1-10-4-5-12-13(7-10)17-15(20)18(14(12)19)9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,20)
InChIKeyXQWGVAYAMJNSEH-UHFFFAOYSA-N
XLogP1.00
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117262974
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172670374

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione (CID 117262886) is 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(CC3CCCNC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The InChIKey is XQWGVAYAMJNSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-5-12-13(7-10)17-15(20)18(14(12)19)9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,20).
What are the key properties of 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).