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

C21H22N2O3 — CID 2029483

IUPACN-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1-c1c(NC(=O)C(C)C)n(C)c2ccccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-13(2)21(25)22-20-18(15-10-6-8-12-17(15)26-4)19(24)14-9-5-7-11-16(14)23(20)3/h5-13H,1-4H3,(H,22,25)
InChIKeyWITCPHUEQLJCKH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds4

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

N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide (PubChem CID 2029483) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
PubChem CID2029483
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1-c1c(NC(=O)C(C)C)n(C)c2ccccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-13(2)21(25)22-20-18(15-10-6-8-12-17(15)26-4)19(24)14-9-5-7-11-16(14)23(20)3/h5-13H,1-4H3,(H,22,25)
InChIKeyWITCPHUEQLJCKH-UHFFFAOYSA-N
XLogP3.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide (CID 2029483) is N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide is COc1ccccc1-c1c(NC(=O)C(C)C)n(C)c2ccccc2c1=O.
What is the InChIKey of N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
The InChIKey is WITCPHUEQLJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)21(25)22-20-18(15-10-6-8-12-17(15)26-4)19(24)14-9-5-7-11-16(14)23(20)3/h5-13H,1-4H3,(H,22,25).
What are the key properties of N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 2029483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).