4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide

C25H27BrN6O3 — CID 143653530

IUPAC4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)NC1=CCc2cc(OCCN(C)C)ccc2N1
InChIInChI=1S/C25H27BrN6O3/c1-15-4-6-17(26)13-20(15)30-24(33)22-23(28-14-27-22)25(34)31-21-9-5-16-12-18(7-8-19(16)29-21)35-11-10-32(2)3/h4,6-9,12-14,29H,5,10-11H2,1-3H3,(H,27,28)(H,30,33)(H,31,34)
InChIKeyXKKIXTFXWSGYKQ-UHFFFAOYSA-N
MW539.43 g/mol
LogP3.91
Rot. Bonds8

About 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide

4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 143653530) has the molecular formula C25H27BrN6O3 and a molecular weight of 539.43 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide
PubChem CID143653530
Molecular FormulaC25H27BrN6O3
Molecular Weight539.43 g/mol
Exact Mass538.13
IUPAC Name4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)NC1=CCc2cc(OCCN(C)C)ccc2N1
InChIInChI=1S/C25H27BrN6O3/c1-15-4-6-17(26)13-20(15)30-24(33)22-23(28-14-27-22)25(34)31-21-9-5-16-12-18(7-8-19(16)29-21)35-11-10-32(2)3/h4,6-9,12-14,29H,5,10-11H2,1-3H3,(H,27,28)(H,30,33)(H,31,34)
InChIKeyXKKIXTFXWSGYKQ-UHFFFAOYSA-N
XLogP3.91
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.43
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide 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 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide (CID 143653530) is 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide is Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)NC1=CCc2cc(OCCN(C)C)ccc2N1.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is XKKIXTFXWSGYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN6O3/c1-15-4-6-17(26)13-20(15)30-24(33)22-23(28-14-27-22)25(34)31-21-9-5-16-12-18(7-8-19(16)29-21)35-11-10-32(2)3/h4,6-9,12-14,29H,5,10-11H2,1-3H3,(H,27,28)(H,30,33)(H,31,34).
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide?
4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 539.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 143653530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).