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

C20H20N4O2 — CID 120729856

IUPAC(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCNCC3c3cccnc3)ccc2c1
InChIInChI=1S/C20H20N4O2/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
InChIKeyFWOLNBVKAUGJCZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.43
Rot. Bonds3

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

(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729856) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729856
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCNCC3c3cccnc3)ccc2c1
InChIInChI=1S/C20H20N4O2/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
InChIKeyFWOLNBVKAUGJCZ-UHFFFAOYSA-N
XLogP2.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120729855
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
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731790
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731863
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857

Frequently Asked Questions

What is the IUPAC name of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729856) is (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is COc1ccc2nc(C(=O)N3CCNCC3c3cccnc3)ccc2c1.
What is the InChIKey of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is FWOLNBVKAUGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/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.
What are the key properties of (6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.43, 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 is sourced from PubChem (CID 120729856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).