N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide

C19H18N2O3 — CID 4907335

IUPACN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
SMILESCOc1cccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C19H18N2O3/c1-12(22)20-19-17(13-7-6-8-14(11-13)24-3)18(23)15-9-4-5-10-16(15)21(19)2/h4-11H,1-3H3,(H,20,22)
InChIKeyPWIGPHYKIAMZHY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.17
Rot. Bonds3

About N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide (PubChem CID 4907335) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
PubChem CID4907335
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
SMILESCOc1cccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C19H18N2O3/c1-12(22)20-19-17(13-7-6-8-14(11-13)24-3)18(23)15-9-4-5-10-16(15)21(19)2/h4-11H,1-3H3,(H,20,22)
InChIKeyPWIGPHYKIAMZHY-UHFFFAOYSA-N
XLogP3.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide (CID 4907335) is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide is COc1cccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
The InChIKey is PWIGPHYKIAMZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(22)20-19-17(13-7-6-8-14(11-13)24-3)18(23)15-9-4-5-10-16(15)21(19)2/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide is sourced from PubChem (CID 4907335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).