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

C23H27N7 — CID 667032

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H27N7/c24-22-25-21(17-28-13-15-29(16-14-28)19-9-2-1-3-10-19)26-23(27-22)30-12-6-8-18-7-4-5-11-20(18)30/h1-5,7,9-11H,6,8,12-17H2,(H2,24,25,26,27)
InChIKeyXAPUHHALCZTLTF-UHFFFAOYSA-N
MW401.52 g/mol
LogP2.86
Rot. Bonds4

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

4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 667032) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID667032
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H27N7/c24-22-25-21(17-28-13-15-29(16-14-28)19-9-2-1-3-10-19)26-23(27-22)30-12-6-8-18-7-4-5-11-20(18)30/h1-5,7,9-11H,6,8,12-17H2,(H2,24,25,26,27)
InChIKeyXAPUHHALCZTLTF-UHFFFAOYSA-N
XLogP2.86
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-phenyl-1,3,5-triazine-2,4-diamine
CID 939226
N-(3-chloro-2-methylphenyl)-6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1,3,5-triazine-2,4-diamine
CID 1286476
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
4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine
CID 666929
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 667006
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine (CID 667032) is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-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-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine is Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is XAPUHHALCZTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c24-22-25-21(17-28-13-15-29(16-14-28)19-9-2-1-3-10-19)26-23(27-22)30-12-6-8-18-7-4-5-11-20(18)30/h1-5,7,9-11H,6,8,12-17H2,(H2,24,25,26,27).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 401.52 g/mol, XLogP of 2.86, 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-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 667032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).