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

C42H32FN3O2 — CID 176668906

IUPAC5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1OC
InChIInChI=1S/C42H32FN3O2/c1-27-17-23-38(46-36-15-9-7-13-34(36)45(31-11-5-4-6-12-31)35-14-8-10-16-37(35)46)42-41(27)32(29-20-24-39(47-2)40(25-29)48-3)26-33(44-42)28-18-21-30(43)22-19-28/h4-26H,1-3H3
InChIKeyXHFNQGDTPHMIQV-UHFFFAOYSA-N
MW629.74 g/mol
LogP11.29
Rot. Bonds6

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

5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine (PubChem CID 176668906) has the molecular formula C42H32FN3O2 and a molecular weight of 629.74 g/mol. Its IUPAC name is 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
PubChem CID176668906
Molecular FormulaC42H32FN3O2
Molecular Weight629.74 g/mol
Exact Mass629.25
IUPAC Name5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1OC
InChIInChI=1S/C42H32FN3O2/c1-27-17-23-38(46-36-15-9-7-13-34(36)45(31-11-5-4-6-12-31)35-14-8-10-16-37(35)46)42-41(27)32(29-20-24-39(47-2)40(25-29)48-3)26-33(44-42)28-18-21-30(43)22-19-28/h4-26H,1-3H3
InChIKeyXHFNQGDTPHMIQV-UHFFFAOYSA-N
XLogP11.29
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
2-(3,4-Dimethoxyphenyl)-3-phenylquinoxaline
CID 852561
2-(3',4'-Dimethoxyphenylethyl)quinoline
CID 11483233
2,3-Bis(3,4-dimethoxyphenyl)quinoxaline
CID 1145601
2,3-Bis(2-methoxyphenyl)benzo[g]quinoxaline
CID 1976384
2-[(6,7-Dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-amine
CID 90117761
2-[(6,7-Dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine
CID 90117855
2-(6,7-Dimethoxynaphthalen-2-yl)quinoline
CID 281809
2-(3,4-Dimethoxyphenyl)-4-phenylquinoline
CID 8966260
6,6'-Methylenebis[2,3-bis(4-methoxyphenyl)quinoxaline]
CID 2847000
4-(4-Fluorophenyl)-7-methoxy-2-(2-quinolinyl)-5,6-dihydrobenzo[h]quinoline
CID 388618
4,4'-Benzo[g]quinoxaline-2,3-diylbis(2-methoxyphenol)
CID 1309066

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine (CID 176668906) is 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1OC.
What is the InChIKey of 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
The InChIKey is XHFNQGDTPHMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32FN3O2/c1-27-17-23-38(46-36-15-9-7-13-34(36)45(31-11-5-4-6-12-31)35-14-8-10-16-37(35)46)42-41(27)32(29-20-24-39(47-2)40(25-29)48-3)26-33(44-42)28-18-21-30(43)22-19-28/h4-26H,1-3H3.
What are the key properties of 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine has a molecular weight of 629.74 g/mol, XLogP of 11.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).