N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide

C17H20N4O — CID 3221713

IUPACN-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide
SMILESCCC(=O)NCCCNc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C17H20N4O/c1-3-15(22)19-8-5-9-20-17-14(11-18)10-13-7-4-6-12(2)16(13)21-17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySEONXVBLGCGMKL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.74
Rot. Bonds6

About N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide

N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide (PubChem CID 3221713) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide
PubChem CID3221713
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide
SMILESCCC(=O)NCCCNc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C17H20N4O/c1-3-15(22)19-8-5-9-20-17-14(11-18)10-13-7-4-6-12(2)16(13)21-17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySEONXVBLGCGMKL-UHFFFAOYSA-N
XLogP2.74
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.74
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-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide?
The IUPAC name of N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide (CID 3221713) is N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide.
What is the SMILES notation for N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide?
The canonical SMILES for N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide is CCC(=O)NCCCNc1nc2c(C)cccc2cc1C#N.
What is the InChIKey of N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide?
The InChIKey is SEONXVBLGCGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-15(22)19-8-5-9-20-17-14(11-18)10-13-7-4-6-12(2)16(13)21-17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide?
N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 3221713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).