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

C23H24N6 — CID 23536315

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc2c(c1)CCCN2c1ncnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C23H24N6/c1-16-8-9-21-17(13-16)5-4-12-29(21)23-27-15-26-22(28-23)24-11-10-18-14-25-20-7-3-2-6-19(18)20/h2-3,6-9,13-15,25H,4-5,10-12H2,1H3,(H,24,26,27,28)
InChIKeyOHJZFVJNQUMDPU-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.40
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 23536315) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
PubChem CID23536315
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc2c(c1)CCCN2c1ncnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C23H24N6/c1-16-8-9-21-17(13-16)5-4-12-29(21)23-27-15-26-22(28-23)24-11-10-18-14-25-20-7-3-2-6-19(18)20/h2-3,6-9,13-15,25H,4-5,10-12H2,1H3,(H,24,26,27,28)
InChIKeyOHJZFVJNQUMDPU-UHFFFAOYSA-N
XLogP4.40
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884031
2-N-(2,5-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896700
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887299
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887471
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910901
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine (CID 23536315) is N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine is Cc1ccc2c(c1)CCCN2c1ncnc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is OHJZFVJNQUMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-16-8-9-21-17(13-16)5-4-12-29(21)23-27-15-26-22(28-23)24-11-10-18-14-25-20-7-3-2-6-19(18)20/h2-3,6-9,13-15,25H,4-5,10-12H2,1H3,(H,24,26,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 384.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).