3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione

C14H18N2O4 — CID 54253740

IUPAC3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione
SMILESCCCCn1c(=O)[nH]c2ccc(OC)c(OC)c2c1=O
InChIInChI=1S/C14H18N2O4/c1-4-5-8-16-13(17)11-9(15-14(16)18)6-7-10(19-2)12(11)20-3/h6-7H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyQYOUBUPGFYYXAS-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.51
Rot. Bonds5

About 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione

3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione (PubChem CID 54253740) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione
PubChem CID54253740
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione
SMILESCCCCn1c(=O)[nH]c2ccc(OC)c(OC)c2c1=O
InChIInChI=1S/C14H18N2O4/c1-4-5-8-16-13(17)11-9(15-14(16)18)6-7-10(19-2)12(11)20-3/h6-7H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyQYOUBUPGFYYXAS-UHFFFAOYSA-N
XLogP1.51
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[ethyl(hydroxy)amino]ethyl]-5,6-dimethoxy-1H-quinazoline-2,4-dione
CID 54382675
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
3-butyl-2,4-dioxo-1H-quinazoline-5-sulfonic acid
CID 22642117
3-butyl-7-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061269
3-butyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 118886530
3-butyl-6-nitro-1H-quinazoline-2,4-dione
CID 101422507
3-butyl-5-[hydroxy(phenyl)methyl]-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 118886532
N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22423308
butan-1-amine;3-butyl-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 158897093
5-methyl-3-propyl-1H-quinazoline-2,4-dione
CID 117261036
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione (CID 54253740) is 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione is CCCCn1c(=O)[nH]c2ccc(OC)c(OC)c2c1=O.
What is the InChIKey of 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione?
The InChIKey is QYOUBUPGFYYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-5-8-16-13(17)11-9(15-14(16)18)6-7-10(19-2)12(11)20-3/h6-7H,4-5,8H2,1-3H3,(H,15,18).
What are the key properties of 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione?
3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 54253740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).