1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

C25H17F3N4O3 — CID 58734229

IUPAC1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H17F3N4O3/c26-25(27,28)35-20-11-7-18(8-12-20)31-24(33)30-17-5-9-19(10-6-17)34-21-3-1-2-16-4-13-22-29-14-15-32(22)23(16)21/h1-15H,(H2,30,31,33)
InChIKeyXKNQKFIMTACZKM-UHFFFAOYSA-N
MW478.43 g/mol
LogP6.82
Rot. Bonds5

About 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 58734229) has the molecular formula C25H17F3N4O3 and a molecular weight of 478.43 g/mol. Its IUPAC name is 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID58734229
Molecular FormulaC25H17F3N4O3
Molecular Weight478.43 g/mol
Exact Mass478.13
IUPAC Name1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H17F3N4O3/c26-25(27,28)35-20-11-7-18(8-12-20)31-24(33)30-17-5-9-19(10-6-17)34-21-3-1-2-16-4-13-22-29-14-15-32(22)23(16)21/h1-15H,(H2,30,31,33)
InChIKeyXKNQKFIMTACZKM-UHFFFAOYSA-N
XLogP6.82
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea 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

1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
Imidazopyridine-urea,42
CID 10117977
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline
CID 25098432
8-(1H-benzimidazol-2-ylmethoxy)quinoline
CID 2231560
1-(2,4-Diethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11512683
1-(2-Methoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11591872
1-(2,4-Dimethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11606531
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-((trans)-4-methoxypyrrolidin-3-yloxy)quinoline
CID 25094492
2-(2-(7-(2-Methoxyethoxy)imidazo[1.2-a]pyridin-3-yl)quinolin-8-yloxy)ethanamine
CID 25094494
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(piperidin-4-yloxy)quinoline
CID 25097876
3-[2-[7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
CID 25098154

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 58734229) is 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is XKNQKFIMTACZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O3/c26-25(27,28)35-20-11-7-18(8-12-20)31-24(33)30-17-5-9-19(10-6-17)34-21-3-1-2-16-4-13-22-29-14-15-32(22)23(16)21/h1-15H,(H2,30,31,33).
What are the key properties of 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 478.43 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 58734229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).