4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C22H25N5O3 — CID 23536094

IUPAC4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H25N5O3/c1-14-7-8-17-15(10-14)6-5-9-27(17)22-24-13-23-21(26-22)25-16-11-18(28-2)20(30-4)19(12-16)29-3/h7-8,10-13H,5-6,9H2,1-4H3,(H,23,24,25,26)
InChIKeyAQKQATGZIKRZMQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.03
Rot. Bonds6

About 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536094) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536094
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H25N5O3/c1-14-7-8-17-15(10-14)6-5-9-27(17)22-24-13-23-21(26-22)25-16-11-18(28-2)20(30-4)19(12-16)29-3/h7-8,10-13H,5-6,9H2,1-4H3,(H,23,24,25,26)
InChIKeyAQKQATGZIKRZMQ-UHFFFAOYSA-N
XLogP4.03
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536094) is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC.
What is the InChIKey of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is AQKQATGZIKRZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-7-8-17-15(10-14)6-5-9-27(17)22-24-13-23-21(26-22)25-16-11-18(28-2)20(30-4)19(12-16)29-3/h7-8,10-13H,5-6,9H2,1-4H3,(H,23,24,25,26).
What are the key properties of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 407.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).