4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine

C25H22ClF3N4 — CID 10217310

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine
SMILESFC(F)(F)c1cccc2c(NC3CCC(Nc4ccnc5cc(Cl)ccc45)CC3)ccnc12
InChIInChI=1S/C25H22ClF3N4/c26-15-4-9-18-21(10-12-30-23(18)14-15)32-16-5-7-17(8-6-16)33-22-11-13-31-24-19(22)2-1-3-20(24)25(27,28)29/h1-4,9-14,16-17H,5-8H2,(H,30,32)(H,31,33)
InChIKeyWPMYIBDKASNHSF-UHFFFAOYSA-N
MW470.93 g/mol
LogP7.29
Rot. Bonds4

About 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine

4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 10217310) has the molecular formula C25H22ClF3N4 and a molecular weight of 470.93 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine
PubChem CID10217310
Molecular FormulaC25H22ClF3N4
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine
SMILESFC(F)(F)c1cccc2c(NC3CCC(Nc4ccnc5cc(Cl)ccc45)CC3)ccnc12
InChIInChI=1S/C25H22ClF3N4/c26-15-4-9-18-21(10-12-30-23(18)14-15)32-16-5-7-17(8-6-16)33-22-11-13-31-24-19(22)2-1-3-20(24)25(27,28)29/h1-4,9-14,16-17H,5-8H2,(H,30,32)(H,31,33)
InChIKeyWPMYIBDKASNHSF-UHFFFAOYSA-N
XLogP7.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.93
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine 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 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine (CID 10217310) is 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine is FC(F)(F)c1cccc2c(NC3CCC(Nc4ccnc5cc(Cl)ccc45)CC3)ccnc12.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is WPMYIBDKASNHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4/c26-15-4-9-18-21(10-12-30-23(18)14-15)32-16-5-7-17(8-6-16)33-22-11-13-31-24-19(22)2-1-3-20(24)25(27,28)29/h1-4,9-14,16-17H,5-8H2,(H,30,32)(H,31,33).
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 470.93 g/mol, XLogP of 7.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-1-N-[8-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 10217310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).