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

C15H19N3O3 — CID 117261507

IUPAC3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
SMILESCCN1CCC(n2c(=O)[nH]c3cc(OC)ccc3c2=O)C1
InChIInChI=1S/C15H19N3O3/c1-3-17-7-6-10(9-17)18-14(19)12-5-4-11(21-2)8-13(12)16-15(18)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)
InChIKeyVDJMUWIIZXRELF-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.97
Rot. Bonds3

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

3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione (PubChem CID 117261507) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
PubChem CID117261507
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
SMILESCCN1CCC(n2c(=O)[nH]c3cc(OC)ccc3c2=O)C1
InChIInChI=1S/C15H19N3O3/c1-3-17-7-6-10(9-17)18-14(19)12-5-4-11(21-2)8-13(12)16-15(18)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)
InChIKeyVDJMUWIIZXRELF-UHFFFAOYSA-N
XLogP0.97
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
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-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
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
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 45265272
3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167968805

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione (CID 117261507) is 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione is CCN1CCC(n2c(=O)[nH]c3cc(OC)ccc3c2=O)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is VDJMUWIIZXRELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-17-7-6-10(9-17)18-14(19)12-5-4-11(21-2)8-13(12)16-15(18)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20).
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione?
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).