1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea

C25H16F4N4O2 — CID 58734231

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C25H16F4N4O2/c26-19-10-5-16(25(27,28)29)14-20(19)32-24(34)31-17-6-8-18(9-7-17)35-21-3-1-2-15-4-11-22-30-12-13-33(22)23(15)21/h1-14H,(H2,31,32,34)
InChIKeySQFAADRBFHYUJS-UHFFFAOYSA-N
MW480.42 g/mol
LogP7.08
Rot. Bonds4

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea (PubChem CID 58734231) has the molecular formula C25H16F4N4O2 and a molecular weight of 480.42 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea
PubChem CID58734231
Molecular FormulaC25H16F4N4O2
Molecular Weight480.42 g/mol
Exact Mass480.12
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C25H16F4N4O2/c26-19-10-5-16(25(27,28)29)14-20(19)32-24(34)31-17-6-8-18(9-7-17)35-21-3-1-2-15-4-11-22-30-12-13-33(22)23(15)21/h1-14H,(H2,31,32,34)
InChIKeySQFAADRBFHYUJS-UHFFFAOYSA-N
XLogP7.08
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
Imidazopyridine-urea, 44
CID 10278844
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea (CID 58734231) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea is O=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea?
The InChIKey is SQFAADRBFHYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N4O2/c26-19-10-5-16(25(27,28)29)14-20(19)32-24(34)31-17-6-8-18(9-7-17)35-21-3-1-2-15-4-11-22-30-12-13-33(22)23(15)21/h1-14H,(H2,31,32,34).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea has a molecular weight of 480.42 g/mol, XLogP of 7.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea is sourced from PubChem (CID 58734231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).