3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide

C25H30N2O5 — CID 2030338

IUPAC3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC(C)C)cc(OC)c1OC
InChIInChI=1S/C25H30N2O5/c1-15(2)13-27(14-19-10-17-9-16(3)7-8-20(17)26-24(19)28)25(29)18-11-21(30-4)23(32-6)22(12-18)31-5/h7-12,15H,13-14H2,1-6H3,(H,26,28)
InChIKeyITTZSRFLCFIDNZ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.16
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide

3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 2030338) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID2030338
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC(C)C)cc(OC)c1OC
InChIInChI=1S/C25H30N2O5/c1-15(2)13-27(14-19-10-17-9-16(3)7-8-20(17)26-24(19)28)25(29)18-11-21(30-4)23(32-6)22(12-18)31-5/h7-12,15H,13-14H2,1-6H3,(H,26,28)
InChIKeyITTZSRFLCFIDNZ-UHFFFAOYSA-N
XLogP4.16
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)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

3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 3752311
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453507
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4261091
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453537
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1426956
N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1425251
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1459170
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide (CID 2030338) is 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is ITTZSRFLCFIDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-15(2)13-27(14-19-10-17-9-16(3)7-8-20(17)26-24(19)28)25(29)18-11-21(30-4)23(32-6)22(12-18)31-5/h7-12,15H,13-14H2,1-6H3,(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide?
3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 438.52 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 2030338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).