6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide

C25H22N4O — CID 146403410

IUPAC6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide
SMILESCN(C)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1
InChIInChI=1S/C25H22N4O/c1-29(2)25(30)21-7-6-19-13-17(3-5-20(19)15-21)9-11-27-24-10-12-28-23-8-4-18(16-26)14-22(23)24/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,28)
InChIKeyYONMYTMORGTPSC-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.62
Rot. Bonds5

About 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide

6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide (PubChem CID 146403410) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide
PubChem CID146403410
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide
SMILESCN(C)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1
InChIInChI=1S/C25H22N4O/c1-29(2)25(30)21-7-6-19-13-17(3-5-20(19)15-21)9-11-27-24-10-12-28-23-8-4-18(16-26)14-22(23)24/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,28)
InChIKeyYONMYTMORGTPSC-UHFFFAOYSA-N
XLogP4.62
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide?
The IUPAC name of 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide (CID 146403410) is 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide?
The canonical SMILES for 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide is CN(C)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1.
What is the InChIKey of 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide?
The InChIKey is YONMYTMORGTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-29(2)25(30)21-7-6-19-13-17(3-5-20(19)15-21)9-11-27-24-10-12-28-23-8-4-18(16-26)14-22(23)24/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,28).
What are the key properties of 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide?
6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N,N-dimethylnaphthalene-2-carboxamide is sourced from PubChem (CID 146403410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).