6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C20H22N6 — CID 24560839

IUPAC6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(Nc2ccccc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C20H22N6/c1-14(26-13-7-9-15-8-5-6-12-17(15)26)18-23-19(21)25-20(24-18)22-16-10-3-2-4-11-16/h2-6,8,10-12,14H,7,9,13H2,1H3,(H3,21,22,23,24,25)
InChIKeyAOSINZQAYJUCRO-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.71
Rot. Bonds4

About 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 24560839) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID24560839
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(Nc2ccccc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C20H22N6/c1-14(26-13-7-9-15-8-5-6-12-17(15)26)18-23-19(21)25-20(24-18)22-16-10-3-2-4-11-16/h2-6,8,10-12,14H,7,9,13H2,1H3,(H3,21,22,23,24,25)
InChIKeyAOSINZQAYJUCRO-UHFFFAOYSA-N
XLogP3.71
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
6-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238115
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
6-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30765842
2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 35016466
6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24561080
6-[(1S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34925494
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51927587
6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25329937
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
6-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18124512

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 24560839) is 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(Nc2ccccc2)n1)N1CCCc2ccccc21.
What is the InChIKey of 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AOSINZQAYJUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-14(26-13-7-9-15-8-5-6-12-17(15)26)18-23-19(21)25-20(24-18)22-16-10-3-2-4-11-16/h2-6,8,10-12,14H,7,9,13H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24560839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).