3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione

C16H21N3O3 — CID 117261540

IUPAC3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
SMILESCCN1CCC(n2c(=O)[nH]c3cc(OC)ccc3c2=O)CC1
InChIInChI=1S/C16H21N3O3/c1-3-18-8-6-11(7-9-18)19-15(20)13-5-4-12(22-2)10-14(13)17-16(19)21/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyZBVSXGBLOQAXFU-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.36
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione

3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione (PubChem CID 117261540) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
PubChem CID117261540
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
SMILESCCN1CCC(n2c(=O)[nH]c3cc(OC)ccc3c2=O)CC1
InChIInChI=1S/C16H21N3O3/c1-3-18-8-6-11(7-9-18)19-15(20)13-5-4-12(22-2)10-14(13)17-16(19)21/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyZBVSXGBLOQAXFU-UHFFFAOYSA-N
XLogP1.36
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
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-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione (CID 117261540) is 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione is CCN1CCC(n2c(=O)[nH]c3cc(OC)ccc3c2=O)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is ZBVSXGBLOQAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-18-8-6-11(7-9-18)19-15(20)13-5-4-12(22-2)10-14(13)17-16(19)21/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,21).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione?
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).