6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

C24H23BrN4O2 — CID 1225914

IUPAC6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3cnn(CC)c3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C24H23BrN4O2/c1-3-29-15-16(14-27-29)13-26-24(30)21-12-23(17-5-8-19(9-6-17)31-4-2)28-22-10-7-18(25)11-20(21)22/h5-12,14-15H,3-4,13H2,1-2H3,(H,26,30)
InChIKeyGEZWPXLINYLZSW-UHFFFAOYSA-N
MW479.38 g/mol
LogP5.21
Rot. Bonds7

About 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 1225914) has the molecular formula C24H23BrN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID1225914
Molecular FormulaC24H23BrN4O2
Molecular Weight479.38 g/mol
Exact Mass478.10
IUPAC Name6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3cnn(CC)c3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C24H23BrN4O2/c1-3-29-15-16(14-27-29)13-26-24(30)21-12-23(17-5-8-19(9-6-17)31-4-2)28-22-10-7-18(25)11-20(21)22/h5-12,14-15H,3-4,13H2,1-2H3,(H,26,30)
InChIKeyGEZWPXLINYLZSW-UHFFFAOYSA-N
XLogP5.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide 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

2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375106
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4155578
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 1225914) is 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCc3cnn(CC)c3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is GEZWPXLINYLZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O2/c1-3-29-15-16(14-27-29)13-26-24(30)21-12-23(17-5-8-19(9-6-17)31-4-2)28-22-10-7-18(25)11-20(21)22/h5-12,14-15H,3-4,13H2,1-2H3,(H,26,30).
What are the key properties of 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 479.38 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1225914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).