N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide

C19H18N2O3 — CID 99835658

IUPACN-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1cccc(NC(=O)COc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C19H18N2O3/c1-13-10-18(16-8-3-4-9-17(16)20-13)24-12-19(22)21-14-6-5-7-15(11-14)23-2/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyHTFRFZUYGKFFNW-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.57
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide

N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide (PubChem CID 99835658) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
PubChem CID99835658
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1cccc(NC(=O)COc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C19H18N2O3/c1-13-10-18(16-8-3-4-9-17(16)20-13)24-12-19(22)21-14-6-5-7-15(11-14)23-2/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyHTFRFZUYGKFFNW-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide (CID 99835658) is N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide is COc1cccc(NC(=O)COc2cc(C)nc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is HTFRFZUYGKFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-10-18(16-8-3-4-9-17(16)20-13)24-12-19(22)21-14-6-5-7-15(11-14)23-2/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide?
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 322.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 99835658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).