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

C20H19ClN2O2 — CID 4975529

IUPACN-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C
InChIInChI=1S/C20H19ClN2O2/c1-12(2)20(25)22-19-17(13-7-6-8-14(21)11-13)18(24)15-9-4-5-10-16(15)23(19)3/h4-12H,1-3H3,(H,22,25)
InChIKeyHCJQIHLUYFINSN-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.45
Rot. Bonds3

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

N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide (PubChem CID 4975529) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
PubChem CID4975529
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C
InChIInChI=1S/C20H19ClN2O2/c1-12(2)20(25)22-19-17(13-7-6-8-14(21)11-13)18(24)15-9-4-5-10-16(15)23(19)3/h4-12H,1-3H3,(H,22,25)
InChIKeyHCJQIHLUYFINSN-UHFFFAOYSA-N
XLogP4.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide (CID 4975529) is N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
The InChIKey is HCJQIHLUYFINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12(2)20(25)22-19-17(13-7-6-8-14(21)11-13)18(24)15-9-4-5-10-16(15)23(19)3/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide?
N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide has a molecular weight of 354.84 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 4975529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).