7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline

C21H19N3O2 — CID 70694004

IUPAC7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline
SMILESCOCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C21H19N3O2/c1-25-11-12-26-18-7-8-20-19(9-10-22-21(20)13-18)16-14-23-24(15-16)17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3
InChIKeyHHYCDNQUPPMKKX-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.11
Rot. Bonds6

About 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline

7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline (PubChem CID 70694004) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline
PubChem CID70694004
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline
SMILESCOCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C21H19N3O2/c1-25-11-12-26-18-7-8-20-19(9-10-22-21(20)13-18)16-14-23-24(15-16)17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3
InChIKeyHHYCDNQUPPMKKX-UHFFFAOYSA-N
XLogP4.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline (CID 70694004) is 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline is COCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
The InChIKey is HHYCDNQUPPMKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-25-11-12-26-18-7-8-20-19(9-10-22-21(20)13-18)16-14-23-24(15-16)17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3.
What are the key properties of 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline has a molecular weight of 345.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-4-(1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70694004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).