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

C28H19N5O2 — CID 157043187

IUPAC3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESN#Cc1ccc2nccc(Nc3cccc(C(=O)Nc4cccc(Oc5ccncc5)c4)c3)c2c1
InChIInChI=1S/C28H19N5O2/c29-18-19-7-8-26-25(15-19)27(11-14-31-26)32-21-4-1-3-20(16-21)28(34)33-22-5-2-6-24(17-22)35-23-9-12-30-13-10-23/h1-17H,(H,31,32)(H,33,34)
InChIKeyFENJFVNUJSSMRR-UHFFFAOYSA-N
MW457.49 g/mol
LogP6.29
Rot. Bonds6

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

3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide (PubChem CID 157043187) has the molecular formula C28H19N5O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
PubChem CID157043187
Molecular FormulaC28H19N5O2
Molecular Weight457.49 g/mol
Exact Mass457.15
IUPAC Name3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
SMILESN#Cc1ccc2nccc(Nc3cccc(C(=O)Nc4cccc(Oc5ccncc5)c4)c3)c2c1
InChIInChI=1S/C28H19N5O2/c29-18-19-7-8-26-25(15-19)27(11-14-31-26)32-21-4-1-3-20(16-21)28(34)33-22-5-2-6-24(17-22)35-23-9-12-30-13-10-23/h1-17H,(H,31,32)(H,33,34)
InChIKeyFENJFVNUJSSMRR-UHFFFAOYSA-N
XLogP6.29
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157042999
N-[3-[[1-(amino-methyl-oxo-λ6-sulfanylidene)azetidin-1-ium-3-yl]amino]phenyl]-3-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 170018733
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The IUPAC name of 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide (CID 157043187) is 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The canonical SMILES for 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide is N#Cc1ccc2nccc(Nc3cccc(C(=O)Nc4cccc(Oc5ccncc5)c4)c3)c2c1.
What is the InChIKey of 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
The InChIKey is FENJFVNUJSSMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2/c29-18-19-7-8-26-25(15-19)27(11-14-31-26)32-21-4-1-3-20(16-21)28(34)33-22-5-2-6-24(17-22)35-23-9-12-30-13-10-23/h1-17H,(H,31,32)(H,33,34).
What are the key properties of 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide?
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide has a molecular weight of 457.49 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 157043187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).