6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione

C24H25BrN2O5 — CID 17168416

IUPAC6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cc(Br)ccc32)cc1OC
InChIInChI=1S/C24H25BrN2O5/c1-31-21-11-8-15(12-22(21)32-2)20(28)14-26-19-10-9-16(25)13-18(19)23(29)27(24(26)30)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3
InChIKeyGWOBBBXUAWIPMV-UHFFFAOYSA-N
MW501.38 g/mol
LogP4.33
Rot. Bonds6

About 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione

6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 17168416) has the molecular formula C24H25BrN2O5 and a molecular weight of 501.38 g/mol. Its IUPAC name is 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID17168416
Molecular FormulaC24H25BrN2O5
Molecular Weight501.38 g/mol
Exact Mass500.09
IUPAC Name6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cc(Br)ccc32)cc1OC
InChIInChI=1S/C24H25BrN2O5/c1-31-21-11-8-15(12-22(21)32-2)20(28)14-26-19-10-9-16(25)13-18(19)23(29)27(24(26)30)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3
InChIKeyGWOBBBXUAWIPMV-UHFFFAOYSA-N
XLogP4.33
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 17172468
1-[2-(3-bromophenyl)-2-oxoethyl]-3-cyclopentyl-6,7-dimethoxyquinazoline-2,4-dione
CID 15999351
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
CID 22423597
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 17147929
N-[5-bromo-2-hydroxy-1-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-3,4-dimethoxybenzamide
CID 136836724
1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-6,7-dimethoxy-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
CID 92656090
6-bromo-3-[(3,4-dimethoxyphenyl)methyl]-1-[1-(2-phenylmethoxyacetyl)pyrrolidin-3-yl]quinazoline-2,4-dione
CID 59587260
3-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 13034669
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17067758
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
CID 110830029
N-[5-bromo-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxyacetamide
CID 5165412

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione (CID 17168416) is 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione is COc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cc(Br)ccc32)cc1OC.
What is the InChIKey of 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is GWOBBBXUAWIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O5/c1-31-21-11-8-15(12-22(21)32-2)20(28)14-26-19-10-9-16(25)13-18(19)23(29)27(24(26)30)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3.
What are the key properties of 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 501.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 17168416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).