1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

C14H14N4O3 — CID 115348069

IUPAC1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2C(=O)Cn1ccnn1
InChIInChI=1S/C14H14N4O3/c19-13(9-17-7-5-15-16-17)18-6-1-2-10-8-11(14(20)21)3-4-12(10)18/h3-5,7-8H,1-2,6,9H2,(H,20,21)
InChIKeyBGTVDDIOCZXMPF-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.96
Rot. Bonds3

About 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 115348069) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID115348069
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2C(=O)Cn1ccnn1
InChIInChI=1S/C14H14N4O3/c19-13(9-17-7-5-15-16-17)18-6-1-2-10-8-11(14(20)21)3-4-12(10)18/h3-5,7-8H,1-2,6,9H2,(H,20,21)
InChIKeyBGTVDDIOCZXMPF-UHFFFAOYSA-N
XLogP0.96
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(triazol-1-yl)ethanone
CID 75440635
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167804593
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325444
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115448262
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 115348069) is 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCCN2C(=O)Cn1ccnn1.
What is the InChIKey of 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is BGTVDDIOCZXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(9-17-7-5-15-16-17)18-6-1-2-10-8-11(14(20)21)3-4-12(10)18/h3-5,7-8H,1-2,6,9H2,(H,20,21).
What are the key properties of 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 115348069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).