(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C20H22Cl2N4O2 — CID 120729855

IUPAC(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCOc1ccc2nc(C(=O)N3CCNCC3c3cccnc3)ccc2c1.Cl.Cl
InChIInChI=1S/C20H20N4O2.2ClH/c1-26-16-5-7-17-14(11-16)4-6-18(23-17)20(25)24-10-9-22-13-19(24)15-3-2-8-21-12-15;;/h2-8,11-12,19,22H,9-10,13H2,1H3;2*1H
InChIKeyXHVUVYQDURDZGA-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.27
Rot. Bonds3

About (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120729855) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120729855
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCOc1ccc2nc(C(=O)N3CCNCC3c3cccnc3)ccc2c1.Cl.Cl
InChIInChI=1S/C20H20N4O2.2ClH/c1-26-16-5-7-17-14(11-16)4-6-18(23-17)20(25)24-10-9-22-13-19(24)15-3-2-8-21-12-15;;/h2-8,11-12,19,22H,9-10,13H2,1H3;2*1H
InChIKeyXHVUVYQDURDZGA-UHFFFAOYSA-N
XLogP3.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729856
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730375
(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
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731862
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206

Frequently Asked Questions

What is the IUPAC name of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120729855) is (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is COc1ccc2nc(C(=O)N3CCNCC3c3cccnc3)ccc2c1.Cl.Cl.
What is the InChIKey of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is XHVUVYQDURDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.2ClH/c1-26-16-5-7-17-14(11-16)4-6-18(23-17)20(25)24-10-9-22-13-19(24)15-3-2-8-21-12-15;;/h2-8,11-12,19,22H,9-10,13H2,1H3;2*1H.
What are the key properties of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 421.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120729855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).