4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C19H19N5O4 — CID 120534404

IUPAC4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1
InChIInChI=1S/C19H19N5O4/c1-11-16(18(25)23-10-13(28-2)9-15(23)19(26)27)21-22-24(11)14-7-3-5-12-6-4-8-20-17(12)14/h3-8,13,15H,9-10H2,1-2H3,(H,26,27)
InChIKeyUGQIJOKGIZDBGN-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.44
Rot. Bonds4

About 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 120534404) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID120534404
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1
InChIInChI=1S/C19H19N5O4/c1-11-16(18(25)23-10-13(28-2)9-15(23)19(26)27)21-22-24(11)14-7-3-5-12-6-4-8-20-17(12)14/h3-8,13,15H,9-10H2,1-2H3,(H,26,27)
InChIKeyUGQIJOKGIZDBGN-UHFFFAOYSA-N
XLogP1.44
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 120534404) is 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1.
What is the InChIKey of 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UGQIJOKGIZDBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-11-16(18(25)23-10-13(28-2)9-15(23)19(26)27)21-22-24(11)14-7-3-5-12-6-4-8-20-17(12)14/h3-8,13,15H,9-10H2,1-2H3,(H,26,27).
What are the key properties of 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 381.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).