1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid

C15H18N4O2 — CID 63541545

IUPAC1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESCC1Cc2ccccc2N(CCn2cc(C(=O)O)nn2)C1
InChIInChI=1S/C15H18N4O2/c1-11-8-12-4-2-3-5-14(12)18(9-11)6-7-19-10-13(15(20)21)16-17-19/h2-5,10-11H,6-9H2,1H3,(H,20,21)
InChIKeyYPWYNLFMHAFPRT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid

1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 63541545) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid
PubChem CID63541545
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESCC1Cc2ccccc2N(CCn2cc(C(=O)O)nn2)C1
InChIInChI=1S/C15H18N4O2/c1-11-8-12-4-2-3-5-14(12)18(9-11)6-7-19-10-13(15(20)21)16-17-19/h2-5,10-11H,6-9H2,1H3,(H,20,21)
InChIKeyYPWYNLFMHAFPRT-UHFFFAOYSA-N
XLogP1.68
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid (CID 63541545) is 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid is CC1Cc2ccccc2N(CCn2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is YPWYNLFMHAFPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-8-12-4-2-3-5-14(12)18(9-11)6-7-19-10-13(15(20)21)16-17-19/h2-5,10-11H,6-9H2,1H3,(H,20,21).
What are the key properties of 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid?
1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 63541545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).