N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine

C24H16F3N5 — CID 57339864

IUPACN-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine
SMILESFC(F)(F)c1cccc(-n2cnc(-c3ccccc3Nc3ccc4cccnc4c3)n2)c1
InChIInChI=1S/C24H16F3N5/c25-24(26,27)17-6-3-7-19(13-17)32-15-29-23(31-32)20-8-1-2-9-21(20)30-18-11-10-16-5-4-12-28-22(16)14-18/h1-15,30H
InChIKeyUWMXZIWIOABGFU-UHFFFAOYSA-N
MW431.42 g/mol
LogP6.24
Rot. Bonds4

About N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine

N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine (PubChem CID 57339864) has the molecular formula C24H16F3N5 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine.

Molecular Properties

Compound NameN-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine
PubChem CID57339864
Molecular FormulaC24H16F3N5
Molecular Weight431.42 g/mol
Exact Mass431.14
IUPAC NameN-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine
SMILESFC(F)(F)c1cccc(-n2cnc(-c3ccccc3Nc3ccc4cccnc4c3)n2)c1
InChIInChI=1S/C24H16F3N5/c25-24(26,27)17-6-3-7-19(13-17)32-15-29-23(31-32)20-8-1-2-9-21(20)30-18-11-10-16-5-4-12-28-22(16)14-18/h1-15,30H
InChIKeyUWMXZIWIOABGFU-UHFFFAOYSA-N
XLogP6.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine?
The IUPAC name of N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine (CID 57339864) is N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine.
What is the SMILES notation for N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine?
The canonical SMILES for N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine is FC(F)(F)c1cccc(-n2cnc(-c3ccccc3Nc3ccc4cccnc4c3)n2)c1.
What is the InChIKey of N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine?
The InChIKey is UWMXZIWIOABGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5/c25-24(26,27)17-6-3-7-19(13-17)32-15-29-23(31-32)20-8-1-2-9-21(20)30-18-11-10-16-5-4-12-28-22(16)14-18/h1-15,30H.
What are the key properties of N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine?
N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine has a molecular weight of 431.42 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]quinolin-7-amine is sourced from PubChem (CID 57339864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).