8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione

C13H14ClN3O2 — CID 117261812

IUPAC8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Cl)cccc2c(=O)n1C1CCNCC1
InChIInChI=1S/C13H14ClN3O2/c14-10-3-1-2-9-11(10)16-13(19)17(12(9)18)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,19)
InChIKeyZVHIYAUZFORVRX-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.27
Rot. Bonds1

About 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione

8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione (PubChem CID 117261812) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
PubChem CID117261812
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Cl)cccc2c(=O)n1C1CCNCC1
InChIInChI=1S/C13H14ClN3O2/c14-10-3-1-2-9-11(10)16-13(19)17(12(9)18)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,19)
InChIKeyZVHIYAUZFORVRX-UHFFFAOYSA-N
XLogP1.27
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 126850235
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262016
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 174989220
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624326
7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117206130
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 117263130
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione (CID 117261812) is 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2c(Cl)cccc2c(=O)n1C1CCNCC1.
What is the InChIKey of 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione?
The InChIKey is ZVHIYAUZFORVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-10-3-1-2-9-11(10)16-13(19)17(12(9)18)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,19).
What are the key properties of 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione?
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione has a molecular weight of 279.73 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).