7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

C22H19ClN4O — CID 24776251

IUPAC7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
SMILESClCCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C22H19ClN4O/c23-9-13-28-15-6-7-16-17(8-11-25-19(16)14-15)21-20-5-3-12-27(20)26-22(21)18-4-1-2-10-24-18/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2
InChIKeyPEZARNZQVWOQOM-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.72
Rot. Bonds5

About 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (PubChem CID 24776251) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.

Molecular Properties

Compound Name7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
PubChem CID24776251
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
SMILESClCCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C22H19ClN4O/c23-9-13-28-15-6-7-16-17(8-11-25-19(16)14-15)21-20-5-3-12-27(20)26-22(21)18-4-1-2-10-24-18/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2
InChIKeyPEZARNZQVWOQOM-UHFFFAOYSA-N
XLogP4.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The IUPAC name of 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (CID 24776251) is 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.
What is the SMILES notation for 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The canonical SMILES for 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is ClCCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1.
What is the InChIKey of 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The InChIKey is PEZARNZQVWOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-9-13-28-15-6-7-16-17(8-11-25-19(16)14-15)21-20-5-3-12-27(20)26-22(21)18-4-1-2-10-24-18/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2.
What are the key properties of 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline has a molecular weight of 390.87 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is sourced from PubChem (CID 24776251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).