1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid

C18H17N5O3 — CID 120530849

IUPAC1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCC2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C18H17N5O3/c1-11-15(16(24)20-18(17(25)26)8-4-9-18)21-22-23(11)14-7-2-6-13-12(14)5-3-10-19-13/h2-3,5-7,10H,4,8-9H2,1H3,(H,20,24)(H,25,26)
InChIKeyVQULRSXIOAONPV-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.86
Rot. Bonds4

About 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 120530849) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID120530849
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCC2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C18H17N5O3/c1-11-15(16(24)20-18(17(25)26)8-4-9-18)21-22-23(11)14-7-2-6-13-12(14)5-3-10-19-13/h2-3,5-7,10H,4,8-9H2,1H3,(H,20,24)(H,25,26)
InChIKeyVQULRSXIOAONPV-UHFFFAOYSA-N
XLogP1.86
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676308
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539004
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide
CID 167875124
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
1-[[5-methyl-1-(3-nitrophenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539086
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119546412

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 120530849) is 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1c(C(=O)NC2(C(=O)O)CCC2)nnn1-c1cccc2ncccc12.
What is the InChIKey of 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is VQULRSXIOAONPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-15(16(24)20-18(17(25)26)8-4-9-18)21-22-23(11)14-7-2-6-13-12(14)5-3-10-19-13/h2-3,5-7,10H,4,8-9H2,1H3,(H,20,24)(H,25,26).
What are the key properties of 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120530849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).