N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide

C24H20N2O2 — CID 59192187

IUPACN-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(COc2ccccc2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C24H20N2O2/c27-24(21-12-13-23-20(15-21)5-4-14-25-23)26-16-18-8-10-19(11-9-18)17-28-22-6-2-1-3-7-22/h1-15H,16-17H2,(H,26,27)
InChIKeyLNMCSMXOUMHDKM-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.74
Rot. Bonds6

About N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide

N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 59192187) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
PubChem CID59192187
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(COc2ccccc2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C24H20N2O2/c27-24(21-12-13-23-20(15-21)5-4-14-25-23)26-16-18-8-10-19(11-9-18)17-28-22-6-2-1-3-7-22/h1-15H,16-17H2,(H,26,27)
InChIKeyLNMCSMXOUMHDKM-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 58388068
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266

Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide (CID 59192187) is N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide is O=C(NCc1ccc(COc2ccccc2)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is LNMCSMXOUMHDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(21-12-13-23-20(15-21)5-4-14-25-23)26-16-18-8-10-19(11-9-18)17-28-22-6-2-1-3-7-22/h1-15H,16-17H2,(H,26,27).
What are the key properties of N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide?
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).