N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide

C27H27N3O — CID 46389962

IUPACN-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1
InChIInChI=1S/C27H27N3O/c1-3-30(4-2)25-14-12-20(13-15-25)18-29-27(31)23-10-7-9-21(16-23)24-17-22-8-5-6-11-26(22)28-19-24/h5-17,19H,3-4,18H2,1-2H3,(H,29,31)
InChIKeyBCNAFOVGVMHEOH-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.68
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide

N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide (PubChem CID 46389962) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
PubChem CID46389962
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1
InChIInChI=1S/C27H27N3O/c1-3-30(4-2)25-14-12-20(13-15-25)18-29-27(31)23-10-7-9-21(16-23)24-17-22-8-5-6-11-26(22)28-19-24/h5-17,19H,3-4,18H2,1-2H3,(H,29,31)
InChIKeyBCNAFOVGVMHEOH-UHFFFAOYSA-N
XLogP5.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide 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-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
N-[(1S)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883224
N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883223
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
N-[[4-(aminomethyl)phenyl]methyl]-6-iodo-2-quinolin-3-ylquinoline-4-carboxamide
CID 18729976
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
ethane;3-ethyl-N-(2-quinolin-3-ylphenyl)benzamide
CID 143844942

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide (CID 46389962) is N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide is CCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide?
The InChIKey is BCNAFOVGVMHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-3-30(4-2)25-14-12-20(13-15-25)18-29-27(31)23-10-7-9-21(16-23)24-17-22-8-5-6-11-26(22)28-19-24/h5-17,19H,3-4,18H2,1-2H3,(H,29,31).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide?
N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide has a molecular weight of 409.53 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide is sourced from PubChem (CID 46389962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).