[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C25H22N4O2 — CID 24687529

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H22N4O2/c30-24-8-4-3-7-23(24)28-13-15-29(16-14-28)25(31)20-17-22(18-9-11-26-12-10-18)27-21-6-2-1-5-19(20)21/h1-12,17,30H,13-16H2
InChIKeyNWYKXAPYTJPEDQ-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.96
Rot. Bonds3

About [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 24687529) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID24687529
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H22N4O2/c30-24-8-4-3-7-23(24)28-13-15-29(16-14-28)25(31)20-17-22(18-9-11-26-12-10-18)27-21-6-2-1-5-19(20)21/h1-12,17,30H,13-16H2
InChIKeyNWYKXAPYTJPEDQ-UHFFFAOYSA-N
XLogP3.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 24687529) is [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is NWYKXAPYTJPEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-24-8-4-3-7-23(24)28-13-15-29(16-14-28)25(31)20-17-22(18-9-11-26-12-10-18)27-21-6-2-1-5-19(20)21/h1-12,17,30H,13-16H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 410.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 24687529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).