N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C23H26N2O4 — CID 1453404

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1OC
InChIInChI=1S/C23H26N2O4/c1-15-5-7-18-13-19(23(27)24-20(18)11-15)14-25(16(2)26)10-9-17-6-8-21(28-3)22(12-17)29-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,27)
InChIKeyPTXPUUQRXZUDCA-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 1453404) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID1453404
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1OC
InChIInChI=1S/C23H26N2O4/c1-15-5-7-18-13-19(23(27)24-20(18)11-15)14-25(16(2)26)10-9-17-6-8-21(28-3)22(12-17)29-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,27)
InChIKeyPTXPUUQRXZUDCA-UHFFFAOYSA-N
XLogP3.44
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 1453404) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is COc1ccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is PTXPUUQRXZUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-5-7-18-13-19(23(27)24-20(18)11-15)14-25(16(2)26)10-9-17-6-8-21(28-3)22(12-17)29-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 1453404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).