6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione

C24H14Cl2F3N5O3S — CID 168966434

IUPAC6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
SMILESCc1cc(-c2ccc(C(F)(F)F)s2)nc2ccc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)cc12
InChIInChI=1S/C24H14Cl2F3N5O3S/c1-10-6-17(18-4-5-19(38-18)24(27,28)29)31-16-3-2-12(9-13(10)16)37-20-14(25)7-11(8-15(20)26)34-23(36)32-22(35)21(30)33-34/h2-9H,1H3,(H2,30,33)(H,32,35,36)
InChIKeyLDFZVUQJFAFZAS-UHFFFAOYSA-N
MW580.38 g/mol
LogP6.21
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione (PubChem CID 168966434) has the molecular formula C24H14Cl2F3N5O3S and a molecular weight of 580.38 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
PubChem CID168966434
Molecular FormulaC24H14Cl2F3N5O3S
Molecular Weight580.38 g/mol
Exact Mass579.01
IUPAC Name6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
SMILESCc1cc(-c2ccc(C(F)(F)F)s2)nc2ccc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)cc12
InChIInChI=1S/C24H14Cl2F3N5O3S/c1-10-6-17(18-4-5-19(38-18)24(27,28)29)31-16-3-2-12(9-13(10)16)37-20-14(25)7-11(8-15(20)26)34-23(36)32-22(35)21(30)33-34/h2-9H,1H3,(H2,30,33)(H,32,35,36)
InChIKeyLDFZVUQJFAFZAS-UHFFFAOYSA-N
XLogP6.21
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.38
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione 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 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione (CID 168966434) is 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione is Cc1cc(-c2ccc(C(F)(F)F)s2)nc2ccc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)cc12.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is LDFZVUQJFAFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N5O3S/c1-10-6-17(18-4-5-19(38-18)24(27,28)29)31-16-3-2-12(9-13(10)16)37-20-14(25)7-11(8-15(20)26)34-23(36)32-22(35)21(30)33-34/h2-9H,1H3,(H2,30,33)(H,32,35,36).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 580.38 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 168966434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).