4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide

C30H24ClN3O — CID 20823335

IUPAC4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
SMILESCN(Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2n1)c1ccccc1
InChIInChI=1S/C30H24ClN3O/c1-34(28-5-3-2-4-6-28)20-27-16-13-24-19-26(17-18-29(24)32-27)33-30(35)23-9-7-21(8-10-23)22-11-14-25(31)15-12-22/h2-19H,20H2,1H3,(H,33,35)
InChIKeyHFQGWVGGEABKBO-UHFFFAOYSA-N
MW478.00 g/mol
LogP7.44
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide

4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide (PubChem CID 20823335) has the molecular formula C30H24ClN3O and a molecular weight of 478.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
PubChem CID20823335
Molecular FormulaC30H24ClN3O
Molecular Weight478.00 g/mol
Exact Mass477.16
IUPAC Name4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
SMILESCN(Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2n1)c1ccccc1
InChIInChI=1S/C30H24ClN3O/c1-34(28-5-3-2-4-6-28)20-27-16-13-24-19-26(17-18-29(24)32-27)33-30(35)23-9-7-21(8-10-23)22-11-14-25(31)15-12-22/h2-19H,20H2,1H3,(H,33,35)
InChIKeyHFQGWVGGEABKBO-UHFFFAOYSA-N
XLogP7.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide 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

4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622
4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
CID 22340315
4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
CID 22340496
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
4-chloro-N-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 46264001
4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340272
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide (CID 20823335) is 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide is CN(Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2n1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide?
The InChIKey is HFQGWVGGEABKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O/c1-34(28-5-3-2-4-6-28)20-27-16-13-24-19-26(17-18-29(24)32-27)33-30(35)23-9-7-21(8-10-23)22-11-14-25(31)15-12-22/h2-19H,20H2,1H3,(H,33,35).
What are the key properties of 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide?
4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide has a molecular weight of 478.00 g/mol, XLogP of 7.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide is sourced from PubChem (CID 20823335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).