2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide

C30H33N3O — CID 10789782

IUPAC2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide
SMILESCCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(CC)CC
InChIInChI=1S/C30H33N3O/c1-4-32(21-23-15-9-7-10-16-23)22-27-29(30(34)33(5-2)6-3)28(24-17-11-8-12-18-24)25-19-13-14-20-26(25)31-27/h7-20H,4-6,21-22H2,1-3H3
InChIKeyOAZCJLGQSAKQHS-UHFFFAOYSA-N
MW451.61 g/mol
LogP6.41
Rot. Bonds9

About 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide

2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide (PubChem CID 10789782) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide
PubChem CID10789782
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide
SMILESCCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(CC)CC
InChIInChI=1S/C30H33N3O/c1-4-32(21-23-15-9-7-10-16-23)22-27-29(30(34)33(5-2)6-3)28(24-17-11-8-12-18-24)25-19-13-14-20-26(25)31-27/h7-20H,4-6,21-22H2,1-3H3
InChIKeyOAZCJLGQSAKQHS-UHFFFAOYSA-N
XLogP6.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-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 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide?
The IUPAC name of 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide (CID 10789782) is 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide?
The canonical SMILES for 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide is CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(CC)CC.
What is the InChIKey of 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide?
The InChIKey is OAZCJLGQSAKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c1-4-32(21-23-15-9-7-10-16-23)22-27-29(30(34)33(5-2)6-3)28(24-17-11-8-12-18-24)25-19-13-14-20-26(25)31-27/h7-20H,4-6,21-22H2,1-3H3.
What are the key properties of 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide?
2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide has a molecular weight of 451.61 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 10789782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).