1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid

C18H20N4O3 — CID 167912272

IUPAC1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid
SMILESCC1CCc2ccccc2N1C(=O)C1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C18H20N4O3/c1-11-6-7-12-4-2-3-5-16(12)22(11)17(23)13-8-14(9-13)21-10-15(18(24)25)19-20-21/h2-5,10-11,13-14H,6-9H2,1H3,(H,24,25)
InChIKeyCTKNIOOEAKKMFD-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.30
Rot. Bonds3

About 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid

1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid (PubChem CID 167912272) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid
PubChem CID167912272
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid
SMILESCC1CCc2ccccc2N1C(=O)C1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C18H20N4O3/c1-11-6-7-12-4-2-3-5-16(12)22(11)17(23)13-8-14(9-13)21-10-15(18(24)25)19-20-21/h2-5,10-11,13-14H,6-9H2,1H3,(H,24,25)
InChIKeyCTKNIOOEAKKMFD-UHFFFAOYSA-N
XLogP2.30
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid (CID 167912272) is 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid is CC1CCc2ccccc2N1C(=O)C1CC(n2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid?
The InChIKey is CTKNIOOEAKKMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-6-7-12-4-2-3-5-16(12)22(11)17(23)13-8-14(9-13)21-10-15(18(24)25)19-20-21/h2-5,10-11,13-14H,6-9H2,1H3,(H,24,25).
What are the key properties of 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid?
1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutyl]triazole-4-carboxylic acid is sourced from PubChem (CID 167912272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).