3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

C20H17BrN2O2 — CID 20897609

IUPAC3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccc(Br)cc3)c(=O)c21
InChIInChI=1S/C20H17BrN2O2/c1-20(2)11-12-5-3-4-6-15(12)17-16(20)18(24)23(19(25)22-17)14-9-7-13(21)8-10-14/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyJXUVZXDSIXUFQP-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.79
Rot. Bonds1

About 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 20897609) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID20897609
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccc(Br)cc3)c(=O)c21
InChIInChI=1S/C20H17BrN2O2/c1-20(2)11-12-5-3-4-6-15(12)17-16(20)18(24)23(19(25)22-17)14-9-7-13(21)8-10-14/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyJXUVZXDSIXUFQP-UHFFFAOYSA-N
XLogP3.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione with MolForge

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Related Compounds

3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897586
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 702333
5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 39841289
5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897631
(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823784
5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897573
(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823715
3-[2-(3-iodopropoxy)ethyl]-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 134257148
(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 92500350
3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione
CID 91005837
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 4978747
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 20897609) is 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CC1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccc(Br)cc3)c(=O)c21.
What is the InChIKey of 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is JXUVZXDSIXUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-20(2)11-12-5-3-4-6-15(12)17-16(20)18(24)23(19(25)22-17)14-9-7-13(21)8-10-14/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 397.27 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 20897609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).