3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide

C19H16N4O3 — CID 5328855

IUPAC3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(C(N)=O)c3)c2cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-7-14-15(8-17(16)26-2)22-10-12(9-20)18(14)23-13-5-3-4-11(6-13)19(21)24/h3-8,10H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySFJYOSIAYPFZDP-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.97
Rot. Bonds5

About 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide

3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide (PubChem CID 5328855) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
PubChem CID5328855
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(C(N)=O)c3)c2cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-7-14-15(8-17(16)26-2)22-10-12(9-20)18(14)23-13-5-3-4-11(6-13)19(21)24/h3-8,10H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySFJYOSIAYPFZDP-UHFFFAOYSA-N
XLogP2.97
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
The IUPAC name of 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide (CID 5328855) is 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide.
What is the SMILES notation for 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
The canonical SMILES for 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide is COc1cc2ncc(C#N)c(Nc3cccc(C(N)=O)c3)c2cc1OC.
What is the InChIKey of 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
The InChIKey is SFJYOSIAYPFZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-16-7-14-15(8-17(16)26-2)22-10-12(9-20)18(14)23-13-5-3-4-11(6-13)19(21)24/h3-8,10H,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide has a molecular weight of 348.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 5328855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).