1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C17H19N3O2 — CID 138003201

IUPAC1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2Cc1cc2n(n1)CCC2
InChIInChI=1S/C17H19N3O2/c21-17(22)15-5-1-7-16-14(15)6-3-8-19(16)11-12-10-13-4-2-9-20(13)18-12/h1,5,7,10H,2-4,6,8-9,11H2,(H,21,22)
InChIKeyIZDALWQJSGDIHR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.48
Rot. Bonds3

About 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 138003201) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID138003201
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2Cc1cc2n(n1)CCC2
InChIInChI=1S/C17H19N3O2/c21-17(22)15-5-1-7-16-14(15)6-3-8-19(16)11-12-10-13-4-2-9-20(13)18-12/h1,5,7,10H,2-4,6,8-9,11H2,(H,21,22)
InChIKeyIZDALWQJSGDIHR-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 138003201) is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2Cc1cc2n(n1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is IZDALWQJSGDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(22)15-5-1-7-16-14(15)6-3-8-19(16)11-12-10-13-4-2-9-20(13)18-12/h1,5,7,10H,2-4,6,8-9,11H2,(H,21,22).
What are the key properties of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 138003201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).