4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide

C15H16BrN3O3 — CID 78379150

IUPAC4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C15H16BrN3O3/c1-2-7-17-13(20)4-3-8-19-14(21)11-9-10(16)5-6-12(11)18-15(19)22/h2,5-6,9,11H,1,3-4,7-8H2,(H,17,20)
InChIKeyCZBIOZSKXGRKKN-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.94
Rot. Bonds6

About 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide

4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide (PubChem CID 78379150) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide
PubChem CID78379150
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C15H16BrN3O3/c1-2-7-17-13(20)4-3-8-19-14(21)11-9-10(16)5-6-12(11)18-15(19)22/h2,5-6,9,11H,1,3-4,7-8H2,(H,17,20)
InChIKeyCZBIOZSKXGRKKN-UHFFFAOYSA-N
XLogP1.94
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
CID 78326031
4-(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)-N-butylbutanamide
CID 78350755
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]butanamide
CID 75196755
4-(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)-N-[(3-chlorophenyl)methyl]butanamide
CID 78316915
6-(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide
CID 78376572
4-[(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)methyl]-N-prop-2-enylbenzamide
CID 78376279
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-prop-2-enylbutanamide
CID 8817663
6-(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 78340557
N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
CID 78341563
6-bromo-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-4aH-quinazolin-4-one
CID 78346637
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
CID 78328368
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
CID 78328371

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide?
The IUPAC name of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide (CID 78379150) is 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide is 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-prop-2-enylbutanamide?
The InChIKey is CZBIOZSKXGRKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-2-7-17-13(20)4-3-8-19-14(21)11-9-10(16)5-6-12(11)18-15(19)22/h2,5-6,9,11H,1,3-4,7-8H2,(H,17,20).
What are the key properties of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide?
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide has a molecular weight of 366.22 g/mol, XLogP of 1.94, 6 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-prop-2-enylbutanamide is sourced from PubChem (CID 78379150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).