2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide

C20H22N6O — CID 167850097

IUPAC2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(-c2cn(C3CCCc4cccnc43)nn2)c1
InChIInChI=1S/C20H22N6O/c1-21-12-19(27)23-16-8-2-6-15(11-16)17-13-26(25-24-17)18-9-3-5-14-7-4-10-22-20(14)18/h2,4,6-8,10-11,13,18,21H,3,5,9,12H2,1H3,(H,23,27)
InChIKeyAYAHYSFXXXUZRO-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.42
Rot. Bonds5

About 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide

2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide (PubChem CID 167850097) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide
PubChem CID167850097
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(-c2cn(C3CCCc4cccnc43)nn2)c1
InChIInChI=1S/C20H22N6O/c1-21-12-19(27)23-16-8-2-6-15(11-16)17-13-26(25-24-17)18-9-3-5-14-7-4-10-22-20(14)18/h2,4,6-8,10-11,13,18,21H,3,5,9,12H2,1H3,(H,23,27)
InChIKeyAYAHYSFXXXUZRO-UHFFFAOYSA-N
XLogP2.42
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-cyclohexyltriazol-4-yl)phenyl]-N'-hydroxyoctanediamide
CID 46179732
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-(3,5-dimethylphenoxy)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 8960822
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 4882205
2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide
CID 136554126
2-(4-tert-butylphenoxy)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9344304
2-(2,5-dimethylphenoxy)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 18290334
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 41489286
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
2-cyclopropyl-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285150

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide (CID 167850097) is 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide is CNCC(=O)Nc1cccc(-c2cn(C3CCCc4cccnc43)nn2)c1.
What is the InChIKey of 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide?
The InChIKey is AYAHYSFXXXUZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-21-12-19(27)23-16-8-2-6-15(11-16)17-13-26(25-24-17)18-9-3-5-14-7-4-10-22-20(14)18/h2,4,6-8,10-11,13,18,21H,3,5,9,12H2,1H3,(H,23,27).
What are the key properties of 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide?
2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-[1-(5,6,7,8-tetrahydroquinolin-8-yl)triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 167850097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).