N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide

C18H25N3O — CID 141363571

IUPACN-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide
SMILESCCN(C)C(=O)c1cc(C(C)N(C)CC)cc2cccnc12
InChIInChI=1S/C18H25N3O/c1-6-20(4)13(3)15-11-14-9-8-10-19-17(14)16(12-15)18(22)21(5)7-2/h8-13H,6-7H2,1-5H3
InChIKeyOFCRMGHUTQKNOM-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide

N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide (PubChem CID 141363571) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide
PubChem CID141363571
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide
SMILESCCN(C)C(=O)c1cc(C(C)N(C)CC)cc2cccnc12
InChIInChI=1S/C18H25N3O/c1-6-20(4)13(3)15-11-14-9-8-10-19-17(14)16(12-15)18(22)21(5)7-2/h8-13H,6-7H2,1-5H3
InChIKeyOFCRMGHUTQKNOM-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide (CID 141363571) is N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide is CCN(C)C(=O)c1cc(C(C)N(C)CC)cc2cccnc12.
What is the InChIKey of N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide?
The InChIKey is OFCRMGHUTQKNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-6-20(4)13(3)15-11-14-9-8-10-19-17(14)16(12-15)18(22)21(5)7-2/h8-13H,6-7H2,1-5H3.
What are the key properties of N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide?
N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[1-[ethyl(methyl)amino]ethyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 141363571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).