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

C24H29N7O — CID 666108

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)cc1
InChIInChI=1S/C24H29N7O/c1-32-20-10-8-19(9-11-20)30-15-13-29(14-16-30)17-22-26-23(25)28-24(27-22)31-12-4-6-18-5-2-3-7-21(18)31/h2-3,5,7-11H,4,6,12-17H2,1H3,(H2,25,26,27,28)
InChIKeyUWRILPZBHVZVGB-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.87
Rot. Bonds5

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

4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine (PubChem CID 666108) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
PubChem CID666108
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)cc1
InChIInChI=1S/C24H29N7O/c1-32-20-10-8-19(9-11-20)30-15-13-29(14-16-30)17-22-26-23(25)28-24(27-22)31-12-4-6-18-5-2-3-7-21(18)31/h2-3,5,7-11H,4,6,12-17H2,1H3,(H2,25,26,27,28)
InChIKeyUWRILPZBHVZVGB-UHFFFAOYSA-N
XLogP2.87
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine (CID 666108) is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine is COc1ccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is UWRILPZBHVZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-32-20-10-8-19(9-11-20)30-15-13-29(14-16-30)17-22-26-23(25)28-24(27-22)31-12-4-6-18-5-2-3-7-21(18)31/h2-3,5,7-11H,4,6,12-17H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 666108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).