3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione

C18H23N3O4 — CID 51076095

IUPAC3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C18H23N3O4/c22-17-14-3-1-2-4-15(14)19-18(23)21(17)11-16(13-5-8-25-12-13)20-6-9-24-10-7-20/h1-4,13,16H,5-12H2,(H,19,23)
InChIKeyBCZGKGRTPCXKJO-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.43
Rot. Bonds4

About 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione

3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 51076095) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID51076095
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C18H23N3O4/c22-17-14-3-1-2-4-15(14)19-18(23)21(17)11-16(13-5-8-25-12-13)20-6-9-24-10-7-20/h1-4,13,16H,5-12H2,(H,19,23)
InChIKeyBCZGKGRTPCXKJO-UHFFFAOYSA-N
XLogP0.43
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione (CID 51076095) is 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is BCZGKGRTPCXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-17-14-3-1-2-4-15(14)19-18(23)21(17)11-16(13-5-8-25-12-13)20-6-9-24-10-7-20/h1-4,13,16H,5-12H2,(H,19,23).
What are the key properties of 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 51076095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).