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

C15H19N3O3 — CID 117261267

IUPAC6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(C3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C15H19N3O3/c1-17-7-5-10(6-8-17)18-14(19)12-9-11(21-2)3-4-13(12)16-15(18)20/h3-4,9-10H,5-8H2,1-2H3,(H,16,20)
InChIKeyCFARQFGKNAVOSB-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.97
Rot. Bonds2

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

6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261267) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
PubChem CID117261267
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(C3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C15H19N3O3/c1-17-7-5-10(6-8-17)18-14(19)12-9-11(21-2)3-4-13(12)16-15(18)20/h3-4,9-10H,5-8H2,1-2H3,(H,16,20)
InChIKeyCFARQFGKNAVOSB-UHFFFAOYSA-N
XLogP0.97
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione (CID 117261267) is 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(C3CCN(C)CC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is CFARQFGKNAVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-7-5-10(6-8-17)18-14(19)12-9-11(21-2)3-4-13(12)16-15(18)20/h3-4,9-10H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione?
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).