3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione

C16H21N3O3 — CID 6426241

IUPAC3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione
SMILESCCCCn1c(=O)[nH]c2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C16H21N3O3/c1-2-3-6-19-15(20)13-11-12(18-7-9-22-10-8-18)4-5-14(13)17-16(19)21/h4-5,11H,2-3,6-10H2,1H3,(H,17,21)
InChIKeyKIJKCYPUDCWIBT-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.33
Rot. Bonds4

About 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione

3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione (PubChem CID 6426241) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione
PubChem CID6426241
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione
SMILESCCCCn1c(=O)[nH]c2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C16H21N3O3/c1-2-3-6-19-15(20)13-11-12(18-7-9-22-10-8-18)4-5-14(13)17-16(19)21/h4-5,11H,2-3,6-10H2,1H3,(H,17,21)
InChIKeyKIJKCYPUDCWIBT-UHFFFAOYSA-N
XLogP1.33
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione (CID 6426241) is 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione is CCCCn1c(=O)[nH]c2ccc(N3CCOCC3)cc2c1=O.
What is the InChIKey of 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
The InChIKey is KIJKCYPUDCWIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-3-6-19-15(20)13-11-12(18-7-9-22-10-8-18)4-5-14(13)17-16(19)21/h4-5,11H,2-3,6-10H2,1H3,(H,17,21).
What are the key properties of 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 6426241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).