(6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone

C21H21BrN4O — CID 1261950

IUPAC(6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C21H21BrN4O/c1-2-25-8-10-26(11-9-25)21(27)18-13-20(15-4-3-7-23-14-15)24-19-6-5-16(22)12-17(18)19/h3-7,12-14H,2,8-11H2,1H3
InChIKeyBUTSRJQSONIAPO-UHFFFAOYSA-N
MW425.33 g/mol
LogP3.84
Rot. Bonds3

About (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone

(6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 1261950) has the molecular formula C21H21BrN4O and a molecular weight of 425.33 g/mol. Its IUPAC name is (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID1261950
Molecular FormulaC21H21BrN4O
Molecular Weight425.33 g/mol
Exact Mass424.09
IUPAC Name(6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C21H21BrN4O/c1-2-25-8-10-26(11-9-25)21(27)18-13-20(15-4-3-7-23-14-15)24-19-6-5-16(22)12-17(18)19/h3-7,12-14H,2,8-11H2,1H3
InChIKeyBUTSRJQSONIAPO-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone (CID 1261950) is (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)CC1.
What is the InChIKey of (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is BUTSRJQSONIAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O/c1-2-25-8-10-26(11-9-25)21(27)18-13-20(15-4-3-7-23-14-15)24-19-6-5-16(22)12-17(18)19/h3-7,12-14H,2,8-11H2,1H3.
What are the key properties of (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
(6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 425.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 1261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).