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

C27H26N2O5 — CID 4261091

IUPAC3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O5/c1-17-9-11-21(12-10-17)29(16-20-13-18-7-5-6-8-22(18)28-26(20)30)27(31)19-14-23(32-2)25(34-4)24(15-19)33-3/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyVXPAWKXTAYKPRE-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.71
Rot. Bonds7

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

3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 4261091) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID4261091
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O5/c1-17-9-11-21(12-10-17)29(16-20-13-18-7-5-6-8-22(18)28-26(20)30)27(31)19-14-23(32-2)25(34-4)24(15-19)33-3/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyVXPAWKXTAYKPRE-UHFFFAOYSA-N
XLogP4.71
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1426956
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190
2-methoxy-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3721115
3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 1391983
N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1425251
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427667
N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1312261
4-chloro-N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1388201
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3618385
N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 4261091) is 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is VXPAWKXTAYKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-17-9-11-21(12-10-17)29(16-20-13-18-7-5-6-8-22(18)28-26(20)30)27(31)19-14-23(32-2)25(34-4)24(15-19)33-3/h5-15H,16H2,1-4H3,(H,28,30).
What are the key properties of 3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 4.71, 7 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-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 4261091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).