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

C23H24N4O2 — CID 46904959

IUPACN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C23H24N4O2/c1-15-11-16(2)19-13-17(14-24)22(27-20(19)12-15)25-9-6-10-26-23(28)18-7-4-5-8-21(18)29-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyDRBMHHCEDDXGEL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.96
Rot. Bonds7

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

N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide (PubChem CID 46904959) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide
PubChem CID46904959
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C23H24N4O2/c1-15-11-16(2)19-13-17(14-24)22(27-20(19)12-15)25-9-6-10-26-23(28)18-7-4-5-8-21(18)29-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyDRBMHHCEDDXGEL-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]-2-methoxybenzamide?
The IUPAC name of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide (CID 46904959) is N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCNc1nc2cc(C)cc(C)c2cc1C#N.
What is the InChIKey of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide?
The InChIKey is DRBMHHCEDDXGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-11-16(2)19-13-17(14-24)22(27-20(19)12-15)25-9-6-10-26-23(28)18-7-4-5-8-21(18)29-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide?
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 46904959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).