3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione

C15H20N2O2 — CID 17132362

IUPAC3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
SMILESCCn1c(=O)c2ccccc2n(CCC(C)C)c1=O
InChIInChI=1S/C15H20N2O2/c1-4-16-14(18)12-7-5-6-8-13(12)17(15(16)19)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyHBNOOKJPMVSYBC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.23
Rot. Bonds4

About 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione

3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione (PubChem CID 17132362) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
PubChem CID17132362
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
SMILESCCn1c(=O)c2ccccc2n(CCC(C)C)c1=O
InChIInChI=1S/C15H20N2O2/c1-4-16-14(18)12-7-5-6-8-13(12)17(15(16)19)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyHBNOOKJPMVSYBC-UHFFFAOYSA-N
XLogP2.23
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)ethyl-dimethylazanium chloride
CID 18527695
1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;3-(3-methylbutyl)-1-(2-methylpropyl)quinazoline-2,4-dione
CID 161337355
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
2-ethyl-1-(3-methylbutyl)quinazolin-4-one
CID 144839436
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442868
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1-(3-methylbutyl)quinazoline-2,4-dione
CID 11538841
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione (CID 17132362) is 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione is CCn1c(=O)c2ccccc2n(CCC(C)C)c1=O.
What is the InChIKey of 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione?
The InChIKey is HBNOOKJPMVSYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-16-14(18)12-7-5-6-8-13(12)17(15(16)19)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione?
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione has a molecular weight of 260.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione is sourced from PubChem (CID 17132362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).