N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide

C23H24N4O2 — CID 46904960

IUPACN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1
InChIInChI=1S/C23H24N4O2/c1-15-10-16(2)20-13-18(14-24)22(27-21(20)11-15)25-8-5-9-26-23(28)17-6-4-7-19(12-17)29-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUSKYNINTKSHKHY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.96
Rot. Bonds7

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

N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide (PubChem CID 46904960) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide
PubChem CID46904960
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1
InChIInChI=1S/C23H24N4O2/c1-15-10-16(2)20-13-18(14-24)22(27-21(20)11-15)25-8-5-9-26-23(28)17-6-4-7-19(12-17)29-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUSKYNINTKSHKHY-UHFFFAOYSA-N
XLogP3.96
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide (CID 46904960) is N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1.
What is the InChIKey of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide?
The InChIKey is USKYNINTKSHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-10-16(2)20-13-18(14-24)22(27-21(20)11-15)25-8-5-9-26-23(28)17-6-4-7-19(12-17)29-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide?
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-methoxybenzamide is sourced from PubChem (CID 46904960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).