(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone

C19H19N4O+ — CID 9228414

IUPAC(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2cc[nH+]cc2)CC1
InChIInChI=1S/C19H18N4O/c24-19(18-6-5-15-3-1-2-4-17(15)21-18)23-13-11-22(12-14-23)16-7-9-20-10-8-16/h1-10H,11-14H2/p+1
InChIKeyADMXCPBLHCLLFA-UHFFFAOYSA-O
MW319.39 g/mol
LogP2.01
Rot. Bonds2

About (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone

(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone (PubChem CID 9228414) has the molecular formula C19H19N4O+ and a molecular weight of 319.39 g/mol. Its IUPAC name is (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
PubChem CID9228414
Molecular FormulaC19H19N4O+
Molecular Weight319.39 g/mol
Exact Mass319.16
IUPAC Name(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2cc[nH+]cc2)CC1
InChIInChI=1S/C19H18N4O/c24-19(18-6-5-15-3-1-2-4-17(15)21-18)23-13-11-22(12-14-23)16-7-9-20-10-8-16/h1-10H,11-14H2/p+1
InChIKeyADMXCPBLHCLLFA-UHFFFAOYSA-O
XLogP2.01
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122341955
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone?
The IUPAC name of (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone (CID 9228414) is (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN(c2cc[nH+]cc2)CC1.
What is the InChIKey of (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone?
The InChIKey is ADMXCPBLHCLLFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N4O/c24-19(18-6-5-15-3-1-2-4-17(15)21-18)23-13-11-22(12-14-23)16-7-9-20-10-8-16/h1-10H,11-14H2/p+1.
What are the key properties of (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone?
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone has a molecular weight of 319.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 9228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).