N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C19H19ClN2O3 — CID 18103160

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H19ClN2O3/c1-22(10-11-25-17-5-3-2-4-15(17)20)19(24)14-6-8-16-13(12-14)7-9-18(23)21-16/h2-6,8,12H,7,9-11H2,1H3,(H,21,23)
InChIKeyNBDAKRDTBZVRQT-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18103160) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18103160
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H19ClN2O3/c1-22(10-11-25-17-5-3-2-4-15(17)20)19(24)14-6-8-16-13(12-14)7-9-18(23)21-16/h2-6,8,12H,7,9-11H2,1H3,(H,21,23)
InChIKeyNBDAKRDTBZVRQT-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18103160) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CN(CCOc1ccccc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is NBDAKRDTBZVRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-22(10-11-25-17-5-3-2-4-15(17)20)19(24)14-6-8-16-13(12-14)7-9-18(23)21-16/h2-6,8,12H,7,9-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18103160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).