N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine

C33H37F3N4 — CID 21331818

IUPACN-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCCCc1ccc(N2CCN(Cc3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)c(CCC)c1
InChIInChI=1S/C33H37F3N4/c1-3-5-24-9-14-32(26(21-24)6-4-2)40-19-17-39(18-20-40)23-25-7-11-28(12-8-25)38-30-15-16-37-31-22-27(33(34,35)36)10-13-29(30)31/h7-16,21-22H,3-6,17-20,23H2,1-2H3,(H,37,38)
InChIKeySDRVKGVOCSVARM-UHFFFAOYSA-N
MW546.68 g/mol
LogP8.22
Rot. Bonds9

About N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine

N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 21331818) has the molecular formula C33H37F3N4 and a molecular weight of 546.68 g/mol. Its IUPAC name is N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID21331818
Molecular FormulaC33H37F3N4
Molecular Weight546.68 g/mol
Exact Mass546.30
IUPAC NameN-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCCCc1ccc(N2CCN(Cc3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)c(CCC)c1
InChIInChI=1S/C33H37F3N4/c1-3-5-24-9-14-32(26(21-24)6-4-2)40-19-17-39(18-20-40)23-25-7-11-28(12-8-25)38-30-15-16-37-31-22-27(33(34,35)36)10-13-29(30)31/h7-16,21-22H,3-6,17-20,23H2,1-2H3,(H,37,38)
InChIKeySDRVKGVOCSVARM-UHFFFAOYSA-N
XLogP8.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[1-[4-(4-propylphenyl)piperazin-1-yl]ethyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21331899
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21331845
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
CID 133401397
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314810
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133400484
2,6-bis(diethylaminomethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10096462
2-(4-bromophenyl)-6-(pyrrolidin-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10414960
7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 53250975
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine (CID 21331818) is N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine is CCCc1ccc(N2CCN(Cc3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)c(CCC)c1.
What is the InChIKey of N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is SDRVKGVOCSVARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N4/c1-3-5-24-9-14-32(26(21-24)6-4-2)40-19-17-39(18-20-40)23-25-7-11-28(12-8-25)38-30-15-16-37-31-22-27(33(34,35)36)10-13-29(30)31/h7-16,21-22H,3-6,17-20,23H2,1-2H3,(H,37,38).
What are the key properties of N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 546.68 g/mol, XLogP of 8.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,4-dipropylphenyl)piperazin-1-yl]methyl]phenyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 21331818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).