1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione

C16H21N3O2 — CID 117263187

IUPAC1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(CC3CCCCN3)c(=O)n(C)c12
InChIInChI=1S/C16H21N3O2/c1-11-6-5-8-13-14(11)18(2)16(21)19(15(13)20)10-12-7-3-4-9-17-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3
InChIKeyRBXUBCNDEXSXFL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.15
Rot. Bonds2

About 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione

1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione (PubChem CID 117263187) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
PubChem CID117263187
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(CC3CCCCN3)c(=O)n(C)c12
InChIInChI=1S/C16H21N3O2/c1-11-6-5-8-13-14(11)18(2)16(21)19(15(13)20)10-12-7-3-4-9-17-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3
InChIKeyRBXUBCNDEXSXFL-UHFFFAOYSA-N
XLogP1.15
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466474
2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 117264638
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466277
3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione
CID 141462480
1-[[3,5-dimethyl-2-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,7-dimethylpurine-2,6-dione
CID 171108970

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione (CID 117263187) is 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione is Cc1cccc2c(=O)n(CC3CCCCN3)c(=O)n(C)c12.
What is the InChIKey of 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione?
The InChIKey is RBXUBCNDEXSXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-5-8-13-14(11)18(2)16(21)19(15(13)20)10-12-7-3-4-9-17-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione?
1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117263187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).