N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide

C17H20N4O — CID 3221711

IUPACN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C17H20N4O/c1-4-16(22)19-5-6-20-17-13(10-18)9-14-12(3)7-11(2)8-15(14)21-17/h7-9H,4-6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyPJJAUJKDOPWQDR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.66
Rot. Bonds5

About N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide

N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide (PubChem CID 3221711) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
PubChem CID3221711
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C17H20N4O/c1-4-16(22)19-5-6-20-17-13(10-18)9-14-12(3)7-11(2)8-15(14)21-17/h7-9H,4-6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyPJJAUJKDOPWQDR-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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Related Compounds

N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
CID 4523986
(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 7434796
5,7-dimethyl-2-[(4-oxo-4-phenylbutyl)amino]quinoline-3-carbonitrile
CID 159003973
1-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 3221575
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2,6-difluorobenzamide
CID 3221738
N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide
CID 3221668
1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(2,4-difluorophenyl)urea
CID 43815089
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 3288463
1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3221635
3,5,7-trimethyl-N-propylquinolin-2-amine
CID 55224112
N-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]cyclohexanecarboxamide
CID 3217041

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide (CID 3221711) is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide is CCC(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N.
What is the InChIKey of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
The InChIKey is PJJAUJKDOPWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-16(22)19-5-6-20-17-13(10-18)9-14-12(3)7-11(2)8-15(14)21-17/h7-9H,4-6H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide?
N-[2-[(3-cyano-5,7-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-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 3221711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).