3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

C23H25BrN4O — CID 46364134

IUPAC3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(Br)c4)ccc3n2)CC1
InChIInChI=1S/C23H25BrN4O/c1-3-27-9-11-28(12-10-27)22-13-16(2)20-15-19(7-8-21(20)26-22)25-23(29)17-5-4-6-18(24)14-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,25,29)
InChIKeyWNQRTDXNXBWAQG-UHFFFAOYSA-N
MW453.38 g/mol
LogP4.70
Rot. Bonds4

About 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (PubChem CID 46364134) has the molecular formula C23H25BrN4O and a molecular weight of 453.38 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
PubChem CID46364134
Molecular FormulaC23H25BrN4O
Molecular Weight453.38 g/mol
Exact Mass452.12
IUPAC Name3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(Br)c4)ccc3n2)CC1
InChIInChI=1S/C23H25BrN4O/c1-3-27-9-11-28(12-10-27)22-13-16(2)20-15-19(7-8-21(20)26-22)25-23(29)17-5-4-6-18(24)14-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,25,29)
InChIKeyWNQRTDXNXBWAQG-UHFFFAOYSA-N
XLogP4.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
6-[(3-chlorobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784144
1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288414
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 22421740
6-[(3-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146058152
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6265762
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 46504475
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide
CID 159529853

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (CID 46364134) is 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(Br)c4)ccc3n2)CC1.
What is the InChIKey of 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The InChIKey is WNQRTDXNXBWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O/c1-3-27-9-11-28(12-10-27)22-13-16(2)20-15-19(7-8-21(20)26-22)25-23(29)17-5-4-6-18(24)14-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,25,29).
What are the key properties of 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide has a molecular weight of 453.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 46364134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).