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

C36H27FN2O3 — CID 176668944

IUPAC10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C36H27FN2O3/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
InChIKeyKXODGHZLUIDWSM-UHFFFAOYSA-N
MW554.62 g/mol
LogP9.61
Rot. Bonds5

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

10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine (PubChem CID 176668944) has the molecular formula C36H27FN2O3 and a molecular weight of 554.62 g/mol. Its IUPAC name is 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
PubChem CID176668944
Molecular FormulaC36H27FN2O3
Molecular Weight554.62 g/mol
Exact Mass554.20
IUPAC Name10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C36H27FN2O3/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
InChIKeyKXODGHZLUIDWSM-UHFFFAOYSA-N
XLogP9.61
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.62
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine (CID 176668944) is 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine is COc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)c1.
What is the InChIKey of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine?
The InChIKey is KXODGHZLUIDWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27FN2O3/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]phenoxazine?
10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine has a molecular weight of 554.62 g/mol, XLogP of 9.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).