4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide

C17H22BrN3O3 — CID 3244789

IUPAC4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C17H22BrN3O3/c1-11(2)7-8-19-15(22)4-3-9-21-16(23)13-10-12(18)5-6-14(13)20-17(21)24/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyWFGLBHRQUWUDTK-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.39
Rot. Bonds7

About 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide

4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide (PubChem CID 3244789) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
PubChem CID3244789
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C17H22BrN3O3/c1-11(2)7-8-19-15(22)4-3-9-21-16(23)13-10-12(18)5-6-14(13)20-17(21)24/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyWFGLBHRQUWUDTK-UHFFFAOYSA-N
XLogP2.39
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
CID 4302416
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 15988164
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 3686336
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
N-benzyl-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide
CID 3367901
2-[6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl-diethylazanium
CID 5111169
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(diethylamino)ethyl]hexanamide
CID 5111170
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide
CID 4601863
N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
CID 118576595
N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22423308

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
The IUPAC name of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide (CID 3244789) is 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
The InChIKey is WFGLBHRQUWUDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-11(2)7-8-19-15(22)4-3-9-21-16(23)13-10-12(18)5-6-14(13)20-17(21)24/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide has a molecular weight of 396.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 3244789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).