10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine

C36H27FN2O2Se — CID 176668928

IUPAC10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C36H27FN2O2Se/c1-22-12-17-32(39-30-8-4-6-10-33(30)42-34-11-7-5-9-31(34)39)36-35(22)28(24-18-26(40-2)20-27(19-24)41-3)21-29(38-36)23-13-15-25(37)16-14-23/h4-21H,1-3H3
InChIKeyKWXKAACRRCGREE-UHFFFAOYSA-N
MW617.58 g/mol
LogP7.47
Rot. Bonds5

About 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine

10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine (PubChem CID 176668928) has the molecular formula C36H27FN2O2Se and a molecular weight of 617.58 g/mol. Its IUPAC name is 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine.

Molecular Properties

Compound Name10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine
PubChem CID176668928
Molecular FormulaC36H27FN2O2Se
Molecular Weight617.58 g/mol
Exact Mass618.12
IUPAC Name10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C36H27FN2O2Se/c1-22-12-17-32(39-30-8-4-6-10-33(30)42-34-11-7-5-9-31(34)39)36-35(22)28(24-18-26(40-2)20-27(19-24)41-3)21-29(38-36)23-13-15-25(37)16-14-23/h4-21H,1-3H3
InChIKeyKWXKAACRRCGREE-UHFFFAOYSA-N
XLogP7.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
3-[3-(3,5-Dimethoxyphenyl)isoquinolin-1-yl]aniline
CID 145989186
2,3-Bis(2-methoxyphenyl)benzo[g]quinoxaline
CID 1976384
1-(3-aminophenyl)-3-(3,5-dimethoxyphenyl)-N,N-dimethylisoquinolin-7-amine
CID 145987999
3-(3,5-Dimethoxyphenyl)-1-(3-methoxyphenyl)isoquinoline
CID 145991702
N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137650398
N-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137654714
2-(2,6-Dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline
CID 53315282
4-(4-Fluorophenyl)-7-methoxy-2-(2-quinolinyl)-5,6-dihydrobenzo[h]quinoline
CID 388618
2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]quinoline
CID 175586726
2-[2-(2-Fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]quinoline
CID 175586728
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668598

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine?
The IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine (CID 176668928) is 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine.
What is the SMILES notation for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine?
The canonical SMILES for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine is COc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)c1.
What is the InChIKey of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine?
The InChIKey is KWXKAACRRCGREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27FN2O2Se/c1-22-12-17-32(39-30-8-4-6-10-33(30)42-34-11-7-5-9-31(34)39)36-35(22)28(24-18-26(40-2)20-27(19-24)41-3)21-29(38-36)23-13-15-25(37)16-14-23/h4-21H,1-3H3.
What are the key properties of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine?
10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine has a molecular weight of 617.58 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine is sourced from PubChem (CID 176668928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).