3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide

C27H19FN4O2 — CID 157042860

IUPAC3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C27H19FN4O2/c28-19-7-8-25-24(16-19)26(11-14-30-25)31-20-4-1-3-18(15-20)27(33)32-21-5-2-6-23(17-21)34-22-9-12-29-13-10-22/h1-17H,(H,30,31)(H,32,33)
InChIKeyFMDXQYWTZIUAIB-UHFFFAOYSA-N
MW450.47 g/mol
LogP6.56
Rot. Bonds6

About 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide

3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide (PubChem CID 157042860) has the molecular formula C27H19FN4O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
PubChem CID157042860
Molecular FormulaC27H19FN4O2
Molecular Weight450.47 g/mol
Exact Mass450.15
IUPAC Name3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C27H19FN4O2/c28-19-7-8-25-24(16-19)26(11-14-30-25)31-20-4-1-3-18(15-20)27(33)32-21-5-2-6-23(17-21)34-22-9-12-29-13-10-22/h1-17H,(H,30,31)(H,32,33)
InChIKeyFMDXQYWTZIUAIB-UHFFFAOYSA-N
XLogP6.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 170228480
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
CID 170001772
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(piperidin-4-ylamino)phenyl]benzamide
CID 166834688
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The IUPAC name of 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide (CID 157042860) is 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The canonical SMILES for 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide is O=C(Nc1cccc(Oc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1.
What is the InChIKey of 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The InChIKey is FMDXQYWTZIUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O2/c28-19-7-8-25-24(16-19)26(11-14-30-25)31-20-4-1-3-18(15-20)27(33)32-21-5-2-6-23(17-21)34-22-9-12-29-13-10-22/h1-17H,(H,30,31)(H,32,33).
What are the key properties of 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide has a molecular weight of 450.47 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 157042860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).