5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine

C24H23N5 — CID 118716042

IUPAC5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine
SMILESNc1ncc(-c2cccc(N3CCNCC3)c2)cc1-c1ccnc2ccccc12
InChIInChI=1S/C24H23N5/c25-24-22(20-8-9-27-23-7-2-1-6-21(20)23)15-18(16-28-24)17-4-3-5-19(14-17)29-12-10-26-11-13-29/h1-9,14-16,26H,10-13H2,(H2,25,28)
InChIKeyOWGBNDVAAXWRCD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.96
Rot. Bonds3

About 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine

5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine (PubChem CID 118716042) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine
PubChem CID118716042
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine
SMILESNc1ncc(-c2cccc(N3CCNCC3)c2)cc1-c1ccnc2ccccc12
InChIInChI=1S/C24H23N5/c25-24-22(20-8-9-27-23-7-2-1-6-21(20)23)15-18(16-28-24)17-4-3-5-19(14-17)29-12-10-26-11-13-29/h1-9,14-16,26H,10-13H2,(H2,25,28)
InChIKeyOWGBNDVAAXWRCD-UHFFFAOYSA-N
XLogP3.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine?
The IUPAC name of 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine (CID 118716042) is 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine?
The canonical SMILES for 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine is Nc1ncc(-c2cccc(N3CCNCC3)c2)cc1-c1ccnc2ccccc12.
What is the InChIKey of 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine?
The InChIKey is OWGBNDVAAXWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c25-24-22(20-8-9-27-23-7-2-1-6-21(20)23)15-18(16-28-24)17-4-3-5-19(14-17)29-12-10-26-11-13-29/h1-9,14-16,26H,10-13H2,(H2,25,28).
What are the key properties of 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine?
5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine has a molecular weight of 381.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine is sourced from PubChem (CID 118716042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).