N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide

C20H20N2O4 — CID 18146543

IUPACN-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-9-8-14(19(25-2)20(17)26-3)11-18(23)22-15-10-13-6-4-5-7-16(13)21-12-15/h4-10,12H,11H2,1-3H3,(H,22,23)
InChIKeyMXTVVVCXVDKWPJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.44
Rot. Bonds6

About N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide

N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 18146543) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID18146543
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-9-8-14(19(25-2)20(17)26-3)11-18(23)22-15-10-13-6-4-5-7-16(13)21-12-15/h4-10,12H,11H2,1-3H3,(H,22,23)
InChIKeyMXTVVVCXVDKWPJ-UHFFFAOYSA-N
XLogP3.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide (CID 18146543) is N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cnc3ccccc3c2)c(OC)c1OC.
What is the InChIKey of N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is MXTVVVCXVDKWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-17-9-8-14(19(25-2)20(17)26-3)11-18(23)22-15-10-13-6-4-5-7-16(13)21-12-15/h4-10,12H,11H2,1-3H3,(H,22,23).
What are the key properties of N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide?
N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18146543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).