3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide

C25H20Cl2N2O4 — CID 155812930

IUPAC3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide
SMILESCOc1cc2cc(Oc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)c(C)nc2cc1OC
InChIInChI=1S/C25H20Cl2N2O4/c1-14-22(10-15-11-23(31-2)24(32-3)13-21(15)28-14)33-20-6-4-19(5-7-20)29-25(30)16-8-17(26)12-18(27)9-16/h4-13H,1-3H3,(H,29,30)
InChIKeyPZRLTBVFDVEDNH-UHFFFAOYSA-N
MW483.35 g/mol
LogP6.91
Rot. Bonds6

About 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide

3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide (PubChem CID 155812930) has the molecular formula C25H20Cl2N2O4 and a molecular weight of 483.35 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide
PubChem CID155812930
Molecular FormulaC25H20Cl2N2O4
Molecular Weight483.35 g/mol
Exact Mass482.08
IUPAC Name3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide
SMILESCOc1cc2cc(Oc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)c(C)nc2cc1OC
InChIInChI=1S/C25H20Cl2N2O4/c1-14-22(10-15-11-23(31-2)24(32-3)13-21(15)28-14)33-20-6-4-19(5-7-20)29-25(30)16-8-17(26)12-18(27)9-16/h4-13H,1-3H3,(H,29,30)
InChIKeyPZRLTBVFDVEDNH-UHFFFAOYSA-N
XLogP6.91
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.35
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]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

N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 155809874
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
7-(4-chlorophenoxy)-N-hydroxy-6-methoxyquinoline-3-carboxamide
CID 58525546
1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea
CID 166450521
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
N-(3,5-dichlorophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 4830381
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]urea
CID 164517442
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780071

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide (CID 155812930) is 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide is COc1cc2cc(Oc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)c(C)nc2cc1OC.
What is the InChIKey of 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide?
The InChIKey is PZRLTBVFDVEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O4/c1-14-22(10-15-11-23(31-2)24(32-3)13-21(15)28-14)33-20-6-4-19(5-7-20)29-25(30)16-8-17(26)12-18(27)9-16/h4-13H,1-3H3,(H,29,30).
What are the key properties of 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide?
3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide has a molecular weight of 483.35 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 155812930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).