N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C29H30N2O6 — CID 1425251

IUPACN-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2cc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3cc(C)ccc3C)c(=O)[nH]c2c1
InChIInChI=1S/C29H30N2O6/c1-17-7-8-18(2)24(11-17)31(29(33)20-13-25(35-4)27(37-6)26(14-20)36-5)16-21-12-19-9-10-22(34-3)15-23(19)30-28(21)32/h7-15H,16H2,1-6H3,(H,30,32)
InChIKeyWZSHRIAMFAAKCA-UHFFFAOYSA-N
MW502.57 g/mol
LogP5.03
Rot. Bonds8

About N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1425251) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1425251
Molecular FormulaC29H30N2O6
Molecular Weight502.57 g/mol
Exact Mass502.21
IUPAC NameN-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2cc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3cc(C)ccc3C)c(=O)[nH]c2c1
InChIInChI=1S/C29H30N2O6/c1-17-7-8-18(2)24(11-17)31(29(33)20-13-25(35-4)27(37-6)26(14-20)36-5)16-21-12-19-9-10-22(34-3)15-23(19)30-28(21)32/h7-15H,16H2,1-6H3,(H,30,32)
InChIKeyWZSHRIAMFAAKCA-UHFFFAOYSA-N
XLogP5.03
TPSA90.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide 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 N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1425251) is N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc2cc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3cc(C)ccc3C)c(=O)[nH]c2c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is WZSHRIAMFAAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-17-7-8-18(2)24(11-17)31(29(33)20-13-25(35-4)27(37-6)26(14-20)36-5)16-21-12-19-9-10-22(34-3)15-23(19)30-28(21)32/h7-15H,16H2,1-6H3,(H,30,32).
What are the key properties of N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 502.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1425251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).