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

C17H22BrN3O3 — CID 78313502

IUPAC4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCN1C(=O)N=C2C=CC(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/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,19,22)
InChIKeyHJYKRKJJDJUAQL-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.80
Rot. Bonds7

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

4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide (PubChem CID 78313502) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
PubChem CID78313502
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCN1C(=O)N=C2C=CC(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/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,19,22)
InChIKeyHJYKRKJJDJUAQL-UHFFFAOYSA-N
XLogP2.80
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
The IUPAC name of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide (CID 78313502) is 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O.
What is the InChIKey of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
The InChIKey is HJYKRKJJDJUAQL-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/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,19,22).
What are the key properties of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide?
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide has a molecular weight of 396.29 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 78313502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).