(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C20H22Cl2N4O — CID 120731327

IUPAC(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCNCC2c2cccnc2)cnc2ccccc12.Cl.Cl
InChIInChI=1S/C20H20N4O.2ClH/c1-14-16-6-2-3-7-18(16)23-12-17(14)20(25)24-10-9-22-13-19(24)15-5-4-8-21-11-15;;/h2-8,11-12,19,22H,9-10,13H2,1H3;2*1H
InChIKeySTOIJUXZZWCDOX-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.57
Rot. Bonds2

About (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120731327) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120731327
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCNCC2c2cccnc2)cnc2ccccc12.Cl.Cl
InChIInChI=1S/C20H20N4O.2ClH/c1-14-16-6-2-3-7-18(16)23-12-17(14)20(25)24-10-9-22-13-19(24)15-5-4-8-21-11-15;;/h2-8,11-12,19,22H,9-10,13H2,1H3;2*1H
InChIKeySTOIJUXZZWCDOX-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
CID 120877926
1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
CID 120731988
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 120732049

Frequently Asked Questions

What is the IUPAC name of (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120731327) is (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is Cc1c(C(=O)N2CCNCC2c2cccnc2)cnc2ccccc12.Cl.Cl.
What is the InChIKey of (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is STOIJUXZZWCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.2ClH/c1-14-16-6-2-3-7-18(16)23-12-17(14)20(25)24-10-9-22-13-19(24)15-5-4-8-21-11-15;;/h2-8,11-12,19,22H,9-10,13H2,1H3;2*1H.
What are the key properties of (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 405.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120731327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).