7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione

C15H19N3O2 — CID 117261515

IUPAC7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(C3CCN(C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C15H19N3O2/c1-10-3-4-12-13(9-10)16-15(20)18(14(12)19)11-5-7-17(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,20)
InChIKeyUACVDAGKPZNXLE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds1

About 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione

7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261515) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
PubChem CID117261515
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(C3CCN(C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C15H19N3O2/c1-10-3-4-12-13(9-10)16-15(20)18(14(12)19)11-5-7-17(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,20)
InChIKeyUACVDAGKPZNXLE-UHFFFAOYSA-N
XLogP1.26
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
CID 117207011
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione (CID 117261515) is 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(C3CCN(C)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is UACVDAGKPZNXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-3-4-12-13(9-10)16-15(20)18(14(12)19)11-5-7-17(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).