N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine

C21H21F3N4 — CID 171779420

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine
SMILESCN1CCN(c2ccc(Nc3cc(C(F)(F)F)c4ccccc4n3)cc2)CC1
InChIInChI=1S/C21H21F3N4/c1-27-10-12-28(13-11-27)16-8-6-15(7-9-16)25-20-14-18(21(22,23)24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3,(H,25,26)
InChIKeyGFOJGQRBQLPKDX-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.75
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine (PubChem CID 171779420) has the molecular formula C21H21F3N4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine
PubChem CID171779420
Molecular FormulaC21H21F3N4
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine
SMILESCN1CCN(c2ccc(Nc3cc(C(F)(F)F)c4ccccc4n3)cc2)CC1
InChIInChI=1S/C21H21F3N4/c1-27-10-12-28(13-11-27)16-8-6-15(7-9-16)25-20-14-18(21(22,23)24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3,(H,25,26)
InChIKeyGFOJGQRBQLPKDX-UHFFFAOYSA-N
XLogP4.75
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[4-[[6-methoxy-4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 171779469
tert-butyl 4-[4-[[6-nitro-4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 171779424
tert-butyl 4-[4-[[6-[(2-chloroacetyl)amino]-4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 171779491
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;hydrochloride
CID 140518377
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
CID 42887250
4-[4-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914776

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine (CID 171779420) is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine is CN1CCN(c2ccc(Nc3cc(C(F)(F)F)c4ccccc4n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine?
The InChIKey is GFOJGQRBQLPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4/c1-27-10-12-28(13-11-27)16-8-6-15(7-9-16)25-20-14-18(21(22,23)24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3,(H,25,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine has a molecular weight of 386.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 171779420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).