N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide

C20H18N4O3 — CID 5328872

IUPACN-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC
InChIInChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(7-14)24-20-13(10-21)11-22-17-9-19(27-3)18(26-2)8-16(17)20/h4-9,11H,1-3H3,(H,22,24)(H,23,25)
InChIKeyADTHOQASRLCLRF-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.83
Rot. Bonds5

About N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide

N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide (PubChem CID 5328872) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
PubChem CID5328872
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC
InChIInChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(7-14)24-20-13(10-21)11-22-17-9-19(27-3)18(26-2)8-16(17)20/h4-9,11H,1-3H3,(H,22,24)(H,23,25)
InChIKeyADTHOQASRLCLRF-UHFFFAOYSA-N
XLogP3.83
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide (CID 5328872) is N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide is COc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC.
What is the InChIKey of N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
The InChIKey is ADTHOQASRLCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(7-14)24-20-13(10-21)11-22-17-9-19(27-3)18(26-2)8-16(17)20/h4-9,11H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 5328872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).