N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine

C21H25N7O2 — CID 118467402

IUPACN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C21H25N7O2/c1-15-5-6-16-3-2-4-17(18(16)22-15)23-19-24-20(27-7-11-29-12-8-27)26-21(25-19)28-9-13-30-14-10-28/h2-6H,7-14H2,1H3,(H,23,24,25,26)
InChIKeyUSNKMZHENLVIEP-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.15
Rot. Bonds4

About N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine

N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine (PubChem CID 118467402) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine
PubChem CID118467402
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C21H25N7O2/c1-15-5-6-16-3-2-4-17(18(16)22-15)23-19-24-20(27-7-11-29-12-8-27)26-21(25-19)28-9-13-30-14-10-28/h2-6H,7-14H2,1H3,(H,23,24,25,26)
InChIKeyUSNKMZHENLVIEP-UHFFFAOYSA-N
XLogP2.15
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine with MolForge

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Related Compounds

N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
2-N,4-N-bis(2-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955718
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 1131976
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 44899506

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine?
The IUPAC name of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine (CID 118467402) is N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine.
What is the SMILES notation for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine?
The canonical SMILES for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine is Cc1ccc2cccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2n1.
What is the InChIKey of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine?
The InChIKey is USNKMZHENLVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-15-5-6-16-3-2-4-17(18(16)22-15)23-19-24-20(27-7-11-29-12-8-27)26-21(25-19)28-9-13-30-14-10-28/h2-6H,7-14H2,1H3,(H,23,24,25,26).
What are the key properties of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine?
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine has a molecular weight of 407.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine is sourced from PubChem (CID 118467402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).