2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline

C38H38N10O — CID 144636292

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline
SMILESCOc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1.Cc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1
InChIInChI=1S/C19H19N5O.C19H19N5/c1-12-11-20-13(2)19-22-18(23-24(12)19)9-7-15-6-4-14-5-8-16(25-3)10-17(14)21-15;1-12-4-5-15-6-7-16(21-17(15)10-12)8-9-18-22-19-14(3)20-11-13(2)24(19)23-18/h4-6,8,10-11H,7,9H2,1-3H3;4-7,10-11H,8-9H2,1-3H3
InChIKeyXRTXQHIBCPOSAG-UHFFFAOYSA-N
MW650.79 g/mol
LogP6.47
Rot. Bonds7

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline (PubChem CID 144636292) has the molecular formula C38H38N10O and a molecular weight of 650.79 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline
PubChem CID144636292
Molecular FormulaC38H38N10O
Molecular Weight650.79 g/mol
Exact Mass650.32
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline
SMILESCOc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1.Cc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1
InChIInChI=1S/C19H19N5O.C19H19N5/c1-12-11-20-13(2)19-22-18(23-24(12)19)9-7-15-6-4-14-5-8-16(25-3)10-17(14)21-15;1-12-4-5-15-6-7-16(21-17(15)10-12)8-9-18-22-19-14(3)20-11-13(2)24(19)23-18/h4-6,8,10-11H,7,9H2,1-3H3;4-7,10-11H,8-9H2,1-3H3
InChIKeyXRTXQHIBCPOSAG-UHFFFAOYSA-N
XLogP6.47
TPSA121.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline with MolForge

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Related Compounds

Amg-208
CID 24864821
ML347
CID 44577753
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406577
6-[[6-(3-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127046732
(S)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy)quinoline
CID 25064510
(R)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy)quinoline
CID 25065131
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
8-Methoxy-2-methyl-5-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)pyrazolo[1,5-c]quinazoline
CID 53323878
3-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766930
3-(6-Quinolylmethyl)-6-(4-benzyloxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405872

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline (CID 144636292) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline is COc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1.Cc1ccc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc2c1.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline?
The InChIKey is XRTXQHIBCPOSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C19H19N5/c1-12-11-20-13(2)19-22-18(23-24(12)19)9-7-15-6-4-14-5-8-16(25-3)10-17(14)21-15;1-12-4-5-15-6-7-16(21-17(15)10-12)8-9-18-22-19-14(3)20-11-13(2)24(19)23-18/h4-6,8,10-11H,7,9H2,1-3H3;4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline has a molecular weight of 650.79 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline is sourced from PubChem (CID 144636292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).