6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate

C17H16N4O2 — CID 166262632

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate
SMILESO=C(Cc1ccc2ncccc2c1)OCc1nnc2n1CCC2
InChIInChI=1S/C17H16N4O2/c22-17(23-11-16-20-19-15-4-2-8-21(15)16)10-12-5-6-14-13(9-12)3-1-7-18-14/h1,3,5-7,9H,2,4,8,10-11H2
InChIKeyNHQPJAOAPDRNJB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.06
Rot. Bonds4

About 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate (PubChem CID 166262632) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate
PubChem CID166262632
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate
SMILESO=C(Cc1ccc2ncccc2c1)OCc1nnc2n1CCC2
InChIInChI=1S/C17H16N4O2/c22-17(23-11-16-20-19-15-4-2-8-21(15)16)10-12-5-6-14-13(9-12)3-1-7-18-14/h1,3,5-7,9H,2,4,8,10-11H2
InChIKeyNHQPJAOAPDRNJB-UHFFFAOYSA-N
XLogP2.06
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate with MolForge

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Related Compounds

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 2-(4-aminophenyl)acetate
CID 107078609
2-naphthalen-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 46524881
2-phenoxy-N-[[7-(quinolin-6-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
CID 126464973
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate
CID 107078632
quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113411
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide
CID 122095761
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 3-amino-2-methylbenzoate
CID 107078611
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate (CID 166262632) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate is O=C(Cc1ccc2ncccc2c1)OCc1nnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate?
The InChIKey is NHQPJAOAPDRNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(23-11-16-20-19-15-4-2-8-21(15)16)10-12-5-6-14-13(9-12)3-1-7-18-14/h1,3,5-7,9H,2,4,8,10-11H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate has a molecular weight of 308.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate is sourced from PubChem (CID 166262632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).