N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine

C28H24FN3O2S — CID 90048409

IUPACN-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCc1cc2nccc(Oc3ccc(Nc4nc(-c5ccccc5)cs4)cc3F)c2cc1OC
InChIInChI=1S/C28H24FN3O2S/c1-3-7-19-14-23-21(16-27(19)33-2)25(12-13-30-23)34-26-11-10-20(15-22(26)29)31-28-32-24(17-35-28)18-8-5-4-6-9-18/h4-6,8-17H,3,7H2,1-2H3,(H,31,32)
InChIKeyOMAGRDXKYZWTRS-UHFFFAOYSA-N
MW485.58 g/mol
LogP7.99
Rot. Bonds8

About N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine

N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 90048409) has the molecular formula C28H24FN3O2S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID90048409
Molecular FormulaC28H24FN3O2S
Molecular Weight485.58 g/mol
Exact Mass485.16
IUPAC NameN-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCc1cc2nccc(Oc3ccc(Nc4nc(-c5ccccc5)cs4)cc3F)c2cc1OC
InChIInChI=1S/C28H24FN3O2S/c1-3-7-19-14-23-21(16-27(19)33-2)25(12-13-30-23)34-26-11-10-20(15-22(26)29)31-28-32-24(17-35-28)18-8-5-4-6-9-18/h4-6,8-17H,3,7H2,1-2H3,(H,31,32)
InChIKeyOMAGRDXKYZWTRS-UHFFFAOYSA-N
XLogP7.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine (CID 90048409) is N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine is CCCc1cc2nccc(Oc3ccc(Nc4nc(-c5ccccc5)cs4)cc3F)c2cc1OC.
What is the InChIKey of N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is OMAGRDXKYZWTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O2S/c1-3-7-19-14-23-21(16-27(19)33-2)25(12-13-30-23)34-26-11-10-20(15-22(26)29)31-28-32-24(17-35-28)18-8-5-4-6-9-18/h4-6,8-17H,3,7H2,1-2H3,(H,31,32).
What are the key properties of N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine?
N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 485.58 g/mol, XLogP of 7.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(6-methoxy-7-propylquinolin-4-yl)oxyphenyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90048409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).