3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one

C21H19BrN2O2 — CID 53356048

IUPAC3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one
SMILESCOC1=CC(=O)C2(CC1)CC(c1ccc(Br)cc1)=NN2c1ccccc1
InChIInChI=1S/C21H19BrN2O2/c1-26-18-11-12-21(20(25)13-18)14-19(15-7-9-16(22)10-8-15)23-24(21)17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3
InChIKeyXNQKDYJJTZEDRG-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.70
Rot. Bonds3

About 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one

3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one (PubChem CID 53356048) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one
PubChem CID53356048
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one
SMILESCOC1=CC(=O)C2(CC1)CC(c1ccc(Br)cc1)=NN2c1ccccc1
InChIInChI=1S/C21H19BrN2O2/c1-26-18-11-12-21(20(25)13-18)14-19(15-7-9-16(22)10-8-15)23-24(21)17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3
InChIKeyXNQKDYJJTZEDRG-UHFFFAOYSA-N
XLogP4.70
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
CID 11472785
3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]
CID 122186885
(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 7374228
5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 3124415
6-(4-bromophenyl)-2-phenyl-4,5-dihydro-1,2,4-triazin-3-one
CID 13149238
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
CID 72734788
6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 59232421
methyl (5R)-8-(4-bromophenyl)-4-(4-methylphenyl)-10-phenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-2-carboxylate
CID 98588416
methyl 8-(4-bromophenyl)-4-(4-methylphenyl)-10-phenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-2-carboxylate
CID 91962619
5-ethenyl-1,3,5-triphenyl-4H-pyrazole
CID 13152578

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one?
The IUPAC name of 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one (CID 53356048) is 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one.
What is the SMILES notation for 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one?
The canonical SMILES for 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one is COC1=CC(=O)C2(CC1)CC(c1ccc(Br)cc1)=NN2c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one?
The InChIKey is XNQKDYJJTZEDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-26-18-11-12-21(20(25)13-18)14-19(15-7-9-16(22)10-8-15)23-24(21)17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one?
3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one has a molecular weight of 411.30 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one is sourced from PubChem (CID 53356048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).