4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine

C23H26FN7 — CID 666929

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H26FN7/c24-18-7-9-19(10-8-18)30-14-12-29(13-15-30)16-21-26-22(25)28-23(27-21)31-11-3-5-17-4-1-2-6-20(17)31/h1-2,4,6-10H,3,5,11-16H2,(H2,25,26,27,28)
InChIKeyAILWUYINOMCJRG-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.00
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine

4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine (PubChem CID 666929) has the molecular formula C23H26FN7 and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
PubChem CID666929
Molecular FormulaC23H26FN7
Molecular Weight419.51 g/mol
Exact Mass419.22
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H26FN7/c24-18-7-9-19(10-8-18)30-14-12-29(13-15-30)16-21-26-22(25)28-23(27-21)31-11-3-5-17-4-1-2-6-20(17)31/h1-2,4,6-10H,3,5,11-16H2,(H2,25,26,27,28)
InChIKeyAILWUYINOMCJRG-UHFFFAOYSA-N
XLogP3.00
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-phenyl-1,3,5-triazine-2,4-diamine
CID 939226
2-N-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 666466
4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine
CID 1500644
4-[(4-benzyl-1-piperazinyl)methyl]-6-(3,4-dihydro-1(2H)-quinolinyl)-1,3,5-triazin-2-amine
CID 1853629
N2-(3,4-Dimethylphenyl)-6-((4-(p-tolyl)piperazin-1-yl)methyl)-1,3,5-triazine-2,4-diamine
CID 122473367
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 666042
6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 666635
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 667006
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-amine
CID 667032
N-(3-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 667134
4-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-6-(3,4-dihydro-1(2H)-quinolinyl)-1,3,5-triazin-2-amine
CID 1500645
6-[(4-benzylpiperazin-1-yl)methyl]-N-phenyl-1,3,5-triazine-2,4-diamine
CID 1833874

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine (CID 666929) is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine is Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is AILWUYINOMCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7/c24-18-7-9-19(10-8-18)30-14-12-29(13-15-30)16-21-26-22(25)28-23(27-21)31-11-3-5-17-4-1-2-6-20(17)31/h1-2,4,6-10H,3,5,11-16H2,(H2,25,26,27,28).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 419.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 666929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).