pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride

C19H19ClN4O — CID 3030200

IUPACpyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccnc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H18N4O.ClH/c24-19(16-5-3-9-20-14-16)23-12-10-22(11-13-23)18-8-7-15-4-1-2-6-17(15)21-18;/h1-9,14H,10-13H2;1H
InChIKeySTJPZKOGBGBISD-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.01
Rot. Bonds2

About pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride

pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 3030200) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID3030200
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Namepyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccnc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H18N4O.ClH/c24-19(16-5-3-9-20-14-16)23-12-10-22(11-13-23)18-8-7-15-4-1-2-6-17(15)21-18;/h1-9,14H,10-13H2;1H
InChIKeySTJPZKOGBGBISD-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
[4-(5-chloro-2-pyridinyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 138809682
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride (CID 3030200) is pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride is Cl.O=C(c1cccnc1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is STJPZKOGBGBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.ClH/c24-19(16-5-3-9-20-14-16)23-12-10-22(11-13-23)18-8-7-15-4-1-2-6-17(15)21-18;/h1-9,14H,10-13H2;1H.
What are the key properties of pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride?
pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 3030200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).