10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine

C34H23FN2O — CID 176668953

IUPAC10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C34H23FN2O/c1-22-15-20-30(37-28-11-5-7-13-31(28)38-32-14-8-6-12-29(32)37)34-33(22)26(23-9-3-2-4-10-23)21-27(36-34)24-16-18-25(35)19-17-24/h2-21H,1H3
InChIKeyPNMWERCRQKKOJC-UHFFFAOYSA-N
MW494.57 g/mol
LogP9.59
Rot. Bonds3

About 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine

10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine (PubChem CID 176668953) has the molecular formula C34H23FN2O and a molecular weight of 494.57 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine
PubChem CID176668953
Molecular FormulaC34H23FN2O
Molecular Weight494.57 g/mol
Exact Mass494.18
IUPAC Name10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C34H23FN2O/c1-22-15-20-30(37-28-11-5-7-13-31(28)38-32-14-8-6-12-29(32)37)34-33(22)26(23-9-3-2-4-10-23)21-27(36-34)24-16-18-25(35)19-17-24/h2-21H,1H3
InChIKeyPNMWERCRQKKOJC-UHFFFAOYSA-N
XLogP9.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
Quinoline, 2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-
CID 3044972
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
1-[4-(2-Fluorophenylmethoxy)phenyl]-3-phenyl-benzo[f]quinoline
CID 129763937
2-(4-Fluorophenoxy)-3-phenylquinoxaline
CID 386968
2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 388004
3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline
CID 392820
2-[[4-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 17954942
1-(4-Fluoro-2-methoxyphenyl)-4-(8-methylquinoline-2-ylmethyl)piperazine
CID 17955113
2-[4-[2-(2,2,2-Trifluoroethoxy)phenyl]-1-piperazinylmethyl]quinoline
CID 69699662
6-Fluoro-2-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinylmethyl]quinoline
CID 69700157

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine (CID 176668953) is 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine is Cc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine?
The InChIKey is PNMWERCRQKKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23FN2O/c1-22-15-20-30(37-28-11-5-7-13-31(28)38-32-14-8-6-12-29(32)37)34-33(22)26(23-9-3-2-4-10-23)21-27(36-34)24-16-18-25(35)19-17-24/h2-21H,1H3.
What are the key properties of 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine?
10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine has a molecular weight of 494.57 g/mol, XLogP of 9.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).