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

C17H19N5O2 — CID 166617250

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nnc(C)c(C)n3)cc(C)c2c1
InChIInChI=1S/C17H19N5O2/c1-9-6-15(20-17-18-10(2)11(3)21-22-17)19-16-13(9)7-12(23-4)8-14(16)24-5/h6-8H,1-5H3,(H,18,19,20,22)
InChIKeyAZJGXLUSLCRILY-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.11
Rot. Bonds4

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

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine (PubChem CID 166617250) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine
PubChem CID166617250
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nnc(C)c(C)n3)cc(C)c2c1
InChIInChI=1S/C17H19N5O2/c1-9-6-15(20-17-18-10(2)11(3)21-22-17)19-16-13(9)7-12(23-4)8-14(16)24-5/h6-8H,1-5H3,(H,18,19,20,22)
InChIKeyAZJGXLUSLCRILY-UHFFFAOYSA-N
XLogP3.11
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide
CID 50957560
6,8-dimethoxy-4-methylquinoline-2-carbothioamide
CID 82574234
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
CID 154915409
4-chloro-6,8-dimethoxy-2-methylquinazoline
CID 89399960
6,8-dimethoxy-2-methylquinoline
CID 14936500
1-(6,8-dimethoxy-2-methylquinolin-3-yl)-N-methylmethanamine
CID 82244248
4-(dimethylamino)-6,8-dimethoxy-2-methylquinoline-3-carbonitrile
CID 82247580
4-chloro-2-ethyl-6,8-dimethoxyquinoline
CID 43668808
3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
CID 97181901
(6,8-dimethoxy-2-methylquinolin-3-yl)methanamine
CID 82242916
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine (CID 166617250) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine is COc1cc(OC)c2nc(Nc3nnc(C)c(C)n3)cc(C)c2c1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine?
The InChIKey is AZJGXLUSLCRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9-6-15(20-17-18-10(2)11(3)21-22-17)19-16-13(9)7-12(23-4)8-14(16)24-5/h6-8H,1-5H3,(H,18,19,20,22).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine is sourced from PubChem (CID 166617250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).