3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione

C19H27N3O3 — CID 71495168

IUPAC3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
SMILESCCCCn1c(=O)c2ccccc2n(CCCN2CCOCC2)c1=O
InChIInChI=1S/C19H27N3O3/c1-2-3-10-22-18(23)16-7-4-5-8-17(16)21(19(22)24)11-6-9-20-12-14-25-15-13-20/h4-5,7-8H,2-3,6,9-15H2,1H3
InChIKeyCJYZVEVTEUFOMV-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.69
Rot. Bonds7

About 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione

3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione (PubChem CID 71495168) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
PubChem CID71495168
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
SMILESCCCCn1c(=O)c2ccccc2n(CCCN2CCOCC2)c1=O
InChIInChI=1S/C19H27N3O3/c1-2-3-10-22-18(23)16-7-4-5-8-17(16)21(19(22)24)11-6-9-20-12-14-25-15-13-20/h4-5,7-8H,2-3,6,9-15H2,1H3
InChIKeyCJYZVEVTEUFOMV-UHFFFAOYSA-N
XLogP1.69
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
The IUPAC name of 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione (CID 71495168) is 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
The canonical SMILES for 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione is CCCCn1c(=O)c2ccccc2n(CCCN2CCOCC2)c1=O.
What is the InChIKey of 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
The InChIKey is CJYZVEVTEUFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-3-10-22-18(23)16-7-4-5-8-17(16)21(19(22)24)11-6-9-20-12-14-25-15-13-20/h4-5,7-8H,2-3,6,9-15H2,1H3.
What are the key properties of 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione is sourced from PubChem (CID 71495168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).