N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide

C28H20FN3O2 — CID 170001772

IUPACN-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(Oc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C28H20FN3O2/c29-20-12-13-26-25(17-20)27(14-15-30-26)34-24-11-4-6-19(16-24)28(33)32-23-10-5-9-22(18-23)31-21-7-2-1-3-8-21/h1-18,31H,(H,32,33)
InChIKeyJLIUZPHCXVPMEB-UHFFFAOYSA-N
MW449.49 g/mol
LogP7.16
Rot. Bonds6

About N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide

N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide (PubChem CID 170001772) has the molecular formula C28H20FN3O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
PubChem CID170001772
Molecular FormulaC28H20FN3O2
Molecular Weight449.49 g/mol
Exact Mass449.15
IUPAC NameN-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(Oc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C28H20FN3O2/c29-20-12-13-26-25(17-20)27(14-15-30-26)34-24-11-4-6-19(16-24)28(33)32-23-10-5-9-22(18-23)31-21-7-2-1-3-8-21/h1-18,31H,(H,32,33)
InChIKeyJLIUZPHCXVPMEB-UHFFFAOYSA-N
XLogP7.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-2-methylbenzamide
CID 170001846
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
CID 166187393
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
CID 155778849

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide?
The IUPAC name of N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide (CID 170001772) is N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide.
What is the SMILES notation for N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide?
The canonical SMILES for N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide is O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(Oc2ccnc3ccc(F)cc23)c1.
What is the InChIKey of N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide?
The InChIKey is JLIUZPHCXVPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O2/c29-20-12-13-26-25(17-20)27(14-15-30-26)34-24-11-4-6-19(16-24)28(33)32-23-10-5-9-22(18-23)31-21-7-2-1-3-8-21/h1-18,31H,(H,32,33).
What are the key properties of N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide?
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide has a molecular weight of 449.49 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 170001772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).