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

C28H21FN4O2 — CID 170228480

IUPAC4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESCN(C(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C28H21FN4O2/c1-33(22-3-2-4-24(18-22)35-23-11-14-30-15-12-23)28(34)19-5-8-21(9-6-19)32-27-13-16-31-26-10-7-20(29)17-25(26)27/h2-18H,1H3,(H,31,32)
InChIKeyQJYGKVAHIHVNII-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.58
Rot. Bonds6

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

4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide (PubChem CID 170228480) has the molecular formula C28H21FN4O2 and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide
PubChem CID170228480
Molecular FormulaC28H21FN4O2
Molecular Weight464.50 g/mol
Exact Mass464.16
IUPAC Name4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESCN(C(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C28H21FN4O2/c1-33(22-3-2-4-24(18-22)35-23-11-14-30-15-12-23)28(34)19-5-8-21(9-6-19)32-27-13-16-31-26-10-7-20(29)17-25(26)27/h2-18H,1H3,(H,31,32)
InChIKeyQJYGKVAHIHVNII-UHFFFAOYSA-N
XLogP6.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
CID 170228485
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043679
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
CID 157043714

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide?
The IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide (CID 170228480) is 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide?
The canonical SMILES for 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide is CN(C(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide?
The InChIKey is QJYGKVAHIHVNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O2/c1-33(22-3-2-4-24(18-22)35-23-11-14-30-15-12-23)28(34)19-5-8-21(9-6-19)32-27-13-16-31-26-10-7-20(29)17-25(26)27/h2-18H,1H3,(H,31,32).
What are the key properties of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide?
4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide has a molecular weight of 464.50 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 170228480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).