(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

C20H21N4O+ — CID 9254247

IUPAC(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c1-15-14-18(17-4-2-3-5-19(17)22-15)20(25)24-12-10-23(11-13-24)16-6-8-21-9-7-16/h2-9,14H,10-13H2,1H3/p+1
InChIKeyHXLXQNLNVYICEA-UHFFFAOYSA-O
MW333.42 g/mol
LogP2.32
Rot. Bonds2

About (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone (PubChem CID 9254247) has the molecular formula C20H21N4O+ and a molecular weight of 333.42 g/mol. Its IUPAC name is (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
PubChem CID9254247
Molecular FormulaC20H21N4O+
Molecular Weight333.42 g/mol
Exact Mass333.17
IUPAC Name(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c1-15-14-18(17-4-2-3-5-19(17)22-15)20(25)24-12-10-23(11-13-24)16-6-8-21-9-7-16/h2-9,14H,10-13H2,1H3/p+1
InChIKeyHXLXQNLNVYICEA-UHFFFAOYSA-O
XLogP2.32
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1022891
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 62045092
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone (CID 9254247) is (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1.
What is the InChIKey of (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone?
The InChIKey is HXLXQNLNVYICEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N4O/c1-15-14-18(17-4-2-3-5-19(17)22-15)20(25)24-12-10-23(11-13-24)16-6-8-21-9-7-16/h2-9,14H,10-13H2,1H3/p+1.
What are the key properties of (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone?
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone has a molecular weight of 333.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9254247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).