6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione

C14H16ClN3O2 — CID 117261256

IUPAC6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
SMILESCN1CCC(n2c(=O)[nH]c3ccc(Cl)cc3c2=O)CC1
InChIInChI=1S/C14H16ClN3O2/c1-17-6-4-10(5-7-17)18-13(19)11-8-9(15)2-3-12(11)16-14(18)20/h2-3,8,10H,4-7H2,1H3,(H,16,20)
InChIKeyRDMGMBQHXZGATF-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.61
Rot. Bonds1

About 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione

6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261256) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
PubChem CID117261256
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
SMILESCN1CCC(n2c(=O)[nH]c3ccc(Cl)cc3c2=O)CC1
InChIInChI=1S/C14H16ClN3O2/c1-17-6-4-10(5-7-17)18-13(19)11-8-9(15)2-3-12(11)16-14(18)20/h2-3,8,10H,4-7H2,1H3,(H,16,20)
InChIKeyRDMGMBQHXZGATF-UHFFFAOYSA-N
XLogP1.61
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione (CID 117261256) is 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione is CN1CCC(n2c(=O)[nH]c3ccc(Cl)cc3c2=O)CC1.
What is the InChIKey of 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is RDMGMBQHXZGATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-17-6-4-10(5-7-17)18-13(19)11-8-9(15)2-3-12(11)16-14(18)20/h2-3,8,10H,4-7H2,1H3,(H,16,20).
What are the key properties of 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione has a molecular weight of 293.75 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).