2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide

C14H17BrN4O3 — CID 139805083

IUPAC2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCN(C)CCn1c(=O)c2ccc(Br)cc2n(CC(N)=O)c1=O
InChIInChI=1S/C14H17BrN4O3/c1-17(2)5-6-18-13(21)10-4-3-9(15)7-11(10)19(14(18)22)8-12(16)20/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20)
InChIKeyPVZHALYTDSPHLO-UHFFFAOYSA-N
MW369.22 g/mol
LogP-0.03
Rot. Bonds5

About 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide

2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 139805083) has the molecular formula C14H17BrN4O3 and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID139805083
Molecular FormulaC14H17BrN4O3
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCN(C)CCn1c(=O)c2ccc(Br)cc2n(CC(N)=O)c1=O
InChIInChI=1S/C14H17BrN4O3/c1-17(2)5-6-18-13(21)10-4-3-9(15)7-11(10)19(14(18)22)8-12(16)20/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20)
InChIKeyPVZHALYTDSPHLO-UHFFFAOYSA-N
XLogP-0.03
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
CID 123176475
2-(6-bromo-2-oxoquinolin-1-yl)acetamide
CID 46830041
4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
CID 144652940
2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 121437344
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
2-(6-bromo-1-oxoisoquinolin-2-yl)acetamide;2-(6-bromo-1-oxoisoquinolin-2-yl)acetonitrile
CID 160650106
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 134489889
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
CID 22423597
2,7-dibromo-9-propylcarbazole;propane
CID 144652939
2-(2-amino-6-oxophenanthridin-5-yl)acetamide
CID 82371136

Frequently Asked Questions

What is the IUPAC name of 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 139805083) is 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is CN(C)CCn1c(=O)c2ccc(Br)cc2n(CC(N)=O)c1=O.
What is the InChIKey of 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is PVZHALYTDSPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O3/c1-17(2)5-6-18-13(21)10-4-3-9(15)7-11(10)19(14(18)22)8-12(16)20/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20).
What are the key properties of 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 369.22 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 139805083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).