3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline

C23H21N5 — CID 121400763

IUPAC3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline
SMILESc1cnc(-c2cnc3ccccc3c2)c(N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C23H21N5/c1-2-5-21-18(4-1)16-19(17-26-21)23-22(6-3-9-25-23)28-14-12-27(13-15-28)20-7-10-24-11-8-20/h1-11,16-17H,12-15H2
InChIKeyBTYHXFRINXBQFM-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.02
Rot. Bonds3

About 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline

3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline (PubChem CID 121400763) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline
PubChem CID121400763
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline
SMILESc1cnc(-c2cnc3ccccc3c2)c(N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C23H21N5/c1-2-5-21-18(4-1)16-19(17-26-21)23-22(6-3-9-25-23)28-14-12-27(13-15-28)20-7-10-24-11-8-20/h1-11,16-17H,12-15H2
InChIKeyBTYHXFRINXBQFM-UHFFFAOYSA-N
XLogP4.02
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400777
2-quinolin-3-ylpyridin-3-ol
CID 11074961
3-pyridin-4-ylquinoline
CID 10081720
4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol
CID 121400732
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine
CID 160898355
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 110454729
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline?
The IUPAC name of 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline (CID 121400763) is 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline.
What is the SMILES notation for 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline?
The canonical SMILES for 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline is c1cnc(-c2cnc3ccccc3c2)c(N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline?
The InChIKey is BTYHXFRINXBQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-5-21-18(4-1)16-19(17-26-21)23-22(6-3-9-25-23)28-14-12-27(13-15-28)20-7-10-24-11-8-20/h1-11,16-17H,12-15H2.
What are the key properties of 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline?
3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline has a molecular weight of 367.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline is sourced from PubChem (CID 121400763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).