4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline

C24H24N4O — CID 70691953

IUPAC4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline
SMILESc1ccc(-n2cc(-c3ccnc4cc(OCCN5CCCC5)ccc34)cn2)cc1
InChIInChI=1S/C24H24N4O/c1-2-6-20(7-3-1)28-18-19(17-26-28)22-10-11-25-24-16-21(8-9-23(22)24)29-15-14-27-12-4-5-13-27/h1-3,6-11,16-18H,4-5,12-15H2
InChIKeyIRJOLKVSPWBQMN-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.56
Rot. Bonds6

About 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline

4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline (PubChem CID 70691953) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline
PubChem CID70691953
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline
SMILESc1ccc(-n2cc(-c3ccnc4cc(OCCN5CCCC5)ccc34)cn2)cc1
InChIInChI=1S/C24H24N4O/c1-2-6-20(7-3-1)28-18-19(17-26-28)22-10-11-25-24-16-21(8-9-23(22)24)29-15-14-27-12-4-5-13-27/h1-3,6-11,16-18H,4-5,12-15H2
InChIKeyIRJOLKVSPWBQMN-UHFFFAOYSA-N
XLogP4.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline (CID 70691953) is 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline is c1ccc(-n2cc(-c3ccnc4cc(OCCN5CCCC5)ccc34)cn2)cc1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline?
The InChIKey is IRJOLKVSPWBQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-6-20(7-3-1)28-18-19(17-26-28)22-10-11-25-24-16-21(8-9-23(22)24)29-15-14-27-12-4-5-13-27/h1-3,6-11,16-18H,4-5,12-15H2.
What are the key properties of 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline?
4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline has a molecular weight of 384.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)quinoline is sourced from PubChem (CID 70691953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).