1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione

C24H16Br2N2O4 — CID 1040501

IUPAC1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=O)c1ccc(Br)cc1
InChIInChI=1S/C24H16Br2N2O4/c25-17-9-5-15(6-10-17)21(29)13-27-20-4-2-1-3-19(20)23(31)28(24(27)32)14-22(30)16-7-11-18(26)12-8-16/h1-12H,13-14H2
InChIKeyJNMNHVQRVHBHIX-UHFFFAOYSA-N
MW556.21 g/mol
LogP4.45
Rot. Bonds6

About 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione

1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 1040501) has the molecular formula C24H16Br2N2O4 and a molecular weight of 556.21 g/mol. Its IUPAC name is 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID1040501
Molecular FormulaC24H16Br2N2O4
Molecular Weight556.21 g/mol
Exact Mass553.95
IUPAC Name1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=O)c1ccc(Br)cc1
InChIInChI=1S/C24H16Br2N2O4/c25-17-9-5-15(6-10-17)21(29)13-27-20-4-2-1-3-19(20)23(31)28(24(27)32)14-22(30)16-7-11-18(26)12-8-16/h1-12H,13-14H2
InChIKeyJNMNHVQRVHBHIX-UHFFFAOYSA-N
XLogP4.45
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.21
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(4-bromophenyl)-2-oxoethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 6622729
3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 53368485
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
CID 22423597
3-[2-(4-bromophenyl)-2-oxoethyl]-2-methylsulfanylquinazolin-4-one
CID 15626519
N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
CID 6619275
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
4-[2-(4-fluorophenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361713
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
3-benzyl-1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 155322949
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
CID 91962397
1-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
CID 1206143

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione (CID 1040501) is 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione is O=C(Cn1c(=O)c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=O)c1ccc(Br)cc1.
What is the InChIKey of 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is JNMNHVQRVHBHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2N2O4/c25-17-9-5-15(6-10-17)21(29)13-27-20-4-2-1-3-19(20)23(31)28(24(27)32)14-22(30)16-7-11-18(26)12-8-16/h1-12H,13-14H2.
What are the key properties of 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione?
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 556.21 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 1040501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).