1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid

C19H21N5O3 — CID 146134060

IUPAC1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid
SMILESCC(C)Oc1ccc2nccc(N3CCC(n4cc(C(=O)O)nn4)C3)c2c1
InChIInChI=1S/C19H21N5O3/c1-12(2)27-14-3-4-16-15(9-14)18(5-7-20-16)23-8-6-13(10-23)24-11-17(19(25)26)21-22-24/h3-5,7,9,11-13H,6,8,10H2,1-2H3,(H,25,26)
InChIKeyRZFCWKBUAGPHDL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.76
Rot. Bonds5

About 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid

1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid (PubChem CID 146134060) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid
PubChem CID146134060
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid
SMILESCC(C)Oc1ccc2nccc(N3CCC(n4cc(C(=O)O)nn4)C3)c2c1
InChIInChI=1S/C19H21N5O3/c1-12(2)27-14-3-4-16-15(9-14)18(5-7-20-16)23-8-6-13(10-23)24-11-17(19(25)26)21-22-24/h3-5,7,9,11-13H,6,8,10H2,1-2H3,(H,25,26)
InChIKeyRZFCWKBUAGPHDL-UHFFFAOYSA-N
XLogP2.76
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064350
2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
CID 138051639
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
1-[1-(2-propan-2-yloxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309451
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
1-(6-methoxyquinolin-4-yl)-N-(4-pyrrol-1-ylphenyl)piperidine-3-carboxamide
CID 91952291
1-[1-[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945708
(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
CID 122049854
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid (CID 146134060) is 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid is CC(C)Oc1ccc2nccc(N3CCC(n4cc(C(=O)O)nn4)C3)c2c1.
What is the InChIKey of 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is RZFCWKBUAGPHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(2)27-14-3-4-16-15(9-14)18(5-7-20-16)23-8-6-13(10-23)24-11-17(19(25)26)21-22-24/h3-5,7,9,11-13H,6,8,10H2,1-2H3,(H,25,26).
What are the key properties of 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid?
1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 146134060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).