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

C32H21FN2OS — CID 176668803

IUPAC10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12
InChIInChI=1S/C32H21FN2OS/c1-20-12-17-27(35-25-7-2-4-9-28(25)36-29-10-5-3-8-26(29)35)32-31(20)23(30-11-6-18-37-30)19-24(34-32)21-13-15-22(33)16-14-21/h2-19H,1H3
InChIKeyLRNNREWQQBMLIK-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.65
Rot. Bonds3

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

10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine (PubChem CID 176668803) has the molecular formula C32H21FN2OS and a molecular weight of 500.60 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine
PubChem CID176668803
Molecular FormulaC32H21FN2OS
Molecular Weight500.60 g/mol
Exact Mass500.14
IUPAC Name10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12
InChIInChI=1S/C32H21FN2OS/c1-20-12-17-27(35-25-7-2-4-9-28(25)36-29-10-5-3-8-26(29)35)32-31(20)23(30-11-6-18-37-30)19-24(34-32)21-13-15-22(33)16-14-21/h2-19H,1H3
InChIKeyLRNNREWQQBMLIK-UHFFFAOYSA-N
XLogP9.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4-Fluorophenyl)-5-methyl-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
CID 176668607
10-[2-(4-Fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoxazine
CID 176668754
10-[5-Methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668756
10-[2-(4-Fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine
CID 176668808
10-[4-Thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668847
10-[2-(4-Fluorophenyl)-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176668863
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine
CID 176668875
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
10-[5-Methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668900
10-[2-(4-Fluorophenyl)-5-methyl-4-phenylquinolin-8-yl]phenoxazine
CID 176668953
10-[2-(4-Fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
CID 176668986
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176669000

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine (CID 176668803) is 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine is Cc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12.
What is the InChIKey of 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine?
The InChIKey is LRNNREWQQBMLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21FN2OS/c1-20-12-17-27(35-25-7-2-4-9-28(25)36-29-10-5-3-8-26(29)35)32-31(20)23(30-11-6-18-37-30)19-24(34-32)21-13-15-22(33)16-14-21/h2-19H,1H3.
What are the key properties of 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine?
10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine has a molecular weight of 500.60 g/mol, XLogP of 9.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).