N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide

C17H20N4O — CID 3221712

IUPACN-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N
InChIInChI=1S/C17H20N4O/c1-4-16(22)19-5-6-20-17-14(10-18)9-13-7-11(2)12(3)8-15(13)21-17/h7-9H,4-6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVNNZBORQEXPDPE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.66
Rot. Bonds5

About N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide

N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide (PubChem CID 3221712) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
PubChem CID3221712
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N
InChIInChI=1S/C17H20N4O/c1-4-16(22)19-5-6-20-17-14(10-18)9-13-7-11(2)12(3)8-15(13)21-17/h7-9H,4-6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVNNZBORQEXPDPE-UHFFFAOYSA-N
XLogP2.66
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide (CID 3221712) is N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide is CCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N.
What is the InChIKey of N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
The InChIKey is VNNZBORQEXPDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-16(22)19-5-6-20-17-14(10-18)9-13-7-11(2)12(3)8-15(13)21-17/h7-9H,4-6H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 3221712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).