7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline

C22H21N3O2 — CID 70687765

IUPAC7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline
SMILESCOCCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C22H21N3O2/c1-26-12-5-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-25(16-17)18-6-3-2-4-7-18/h2-4,6-11,14-16H,5,12-13H2,1H3
InChIKeyPNPFEXKCCVABSY-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.50
Rot. Bonds7

About 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline

7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline (PubChem CID 70687765) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline
PubChem CID70687765
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline
SMILESCOCCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C22H21N3O2/c1-26-12-5-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-25(16-17)18-6-3-2-4-7-18/h2-4,6-11,14-16H,5,12-13H2,1H3
InChIKeyPNPFEXKCCVABSY-UHFFFAOYSA-N
XLogP4.50
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.50
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-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline (CID 70687765) is 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline is COCCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
The InChIKey is PNPFEXKCCVABSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-26-12-5-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-25(16-17)18-6-3-2-4-7-18/h2-4,6-11,14-16H,5,12-13H2,1H3.
What are the key properties of 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline?
7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline has a molecular weight of 359.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70687765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).