N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide

C26H28N8O — CID 143578589

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)cc1
InChIInChI=1S/C26H28N8O/c1-32(2)13-14-33(3)26(35)20-9-7-19(8-10-20)23-16-28-24-25(29-23)34(31-30-24)17-18-6-11-22-21(15-18)5-4-12-27-22/h4-12,15-16,31H,13-14,17H2,1-3H3,(H,28,30)
InChIKeyWGEHXWXLEXTXKM-UHFFFAOYSA-N
MW468.57 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide

N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide (PubChem CID 143578589) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
PubChem CID143578589
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)cc1
InChIInChI=1S/C26H28N8O/c1-32(2)13-14-33(3)26(35)20-9-7-19(8-10-20)23-16-28-24-25(29-23)34(31-30-24)17-18-6-11-22-21(15-18)5-4-12-27-22/h4-12,15-16,31H,13-14,17H2,1-3H3,(H,28,30)
InChIKeyWGEHXWXLEXTXKM-UHFFFAOYSA-N
XLogP3.18
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide
CID 163554400
6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 139321401
N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214061
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
CID 118214051
2-chloro-N-propoxy-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123460431
2-chloro-N-(2-hydroxypropoxy)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123181910

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide (CID 143578589) is N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide is CN(C)CCN(C)C(=O)c1ccc(-c2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide?
The InChIKey is WGEHXWXLEXTXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-32(2)13-14-33(3)26(35)20-9-7-19(8-10-20)23-16-28-24-25(29-23)34(31-30-24)17-18-6-11-22-21(15-18)5-4-12-27-22/h4-12,15-16,31H,13-14,17H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide has a molecular weight of 468.57 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide is sourced from PubChem (CID 143578589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).