2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid

C18H19N5O3 — CID 120518470

IUPAC2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1nnn(-c2cccc3cccnc23)c1C)C(=O)O
InChIInChI=1S/C18H19N5O3/c1-4-18(3,17(25)26)20-16(24)14-11(2)23(22-21-14)13-9-5-7-12-8-6-10-19-15(12)13/h5-10H,4H2,1-3H3,(H,20,24)(H,25,26)
InChIKeySAGGTZLSCOQOKN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.11
Rot. Bonds5

About 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid

2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid (PubChem CID 120518470) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
PubChem CID120518470
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1nnn(-c2cccc3cccnc23)c1C)C(=O)O
InChIInChI=1S/C18H19N5O3/c1-4-18(3,17(25)26)20-16(24)14-11(2)23(22-21-14)13-9-5-7-12-8-6-10-19-15(12)13/h5-10H,4H2,1-3H3,(H,20,24)(H,25,26)
InChIKeySAGGTZLSCOQOKN-UHFFFAOYSA-N
XLogP2.11
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
CID 120516941
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
CID 119666236
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid (CID 120518470) is 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)c1nnn(-c2cccc3cccnc23)c1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid?
The InChIKey is SAGGTZLSCOQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-18(3,17(25)26)20-16(24)14-11(2)23(22-21-14)13-9-5-7-12-8-6-10-19-15(12)13/h5-10H,4H2,1-3H3,(H,20,24)(H,25,26).
What are the key properties of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid?
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid has a molecular weight of 353.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120518470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).