N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide

C20H20N2O — CID 855960

IUPACN-benzyl-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)NCc2ccccc2)c1C
InChIInChI=1S/C20H20N2O/c1-3-17-14(2)19(16-11-7-8-12-18(16)22-17)20(23)21-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyUKUJVSJRLNQXDR-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.04
Rot. Bonds4

About N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide

N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide (PubChem CID 855960) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-3-methylquinoline-4-carboxamide
PubChem CID855960
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-benzyl-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)NCc2ccccc2)c1C
InChIInChI=1S/C20H20N2O/c1-3-17-14(2)19(16-11-7-8-12-18(16)22-17)20(23)21-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyUKUJVSJRLNQXDR-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide (CID 855960) is N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)NCc2ccccc2)c1C.
What is the InChIKey of N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide?
The InChIKey is UKUJVSJRLNQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-17-14(2)19(16-11-7-8-12-18(16)22-17)20(23)21-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide?
N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 855960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).