pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone

C19H18N4O — CID 706924

IUPACpyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H18N4O/c24-19(16-7-9-20-10-8-16)23-13-11-22(12-14-23)18-6-5-15-3-1-2-4-17(15)21-18/h1-10H,11-14H2
InChIKeyMHPUIBLIRIJKFE-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.59
Rot. Bonds2

About pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone

pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 706924) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID706924
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namepyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H18N4O/c24-19(16-7-9-20-10-8-16)23-13-11-22(12-14-23)18-6-5-15-3-1-2-4-17(15)21-18/h1-10H,11-14H2
InChIKeyMHPUIBLIRIJKFE-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 706924) is pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is O=C(c1ccncc1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MHPUIBLIRIJKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(16-7-9-20-10-8-16)23-13-11-22(12-14-23)18-6-5-15-3-1-2-4-17(15)21-18/h1-10H,11-14H2.
What are the key properties of pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 706924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).