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

C19H19ClN2O3 — CID 122192608

IUPAC1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCNC(=O)C1CCc2ccccc2N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-21-19(24)17-11-6-13-4-2-3-5-16(13)22(17)18(23)12-25-15-9-7-14(20)8-10-15/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,24)
InChIKeyRNAQONXYPNTQIF-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.81
Rot. Bonds4

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

1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 122192608) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID122192608
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCNC(=O)C1CCc2ccccc2N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-21-19(24)17-11-6-13-4-2-3-5-16(13)22(17)18(23)12-25-15-9-7-14(20)8-10-15/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,24)
InChIKeyRNAQONXYPNTQIF-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide (CID 122192608) is 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide is CNC(=O)C1CCc2ccccc2N1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is RNAQONXYPNTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-21-19(24)17-11-6-13-4-2-3-5-16(13)22(17)18(23)12-25-15-9-7-14(20)8-10-15/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,24).
What are the key properties of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide?
1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 122192608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).