1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid

C19H14Cl2N2O4 — CID 5276974

About 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid

1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 5276974) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 5276974
• Molecular Formula: C19H14Cl2N2O4
• Molecular Weight: 405.24 g/mol
• Exact Mass: 404.03
• IUPAC Name: 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
• SMILES: NC(=O)Cn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21
• InChI: InChI=1S/C19H14Cl2N2O4/c20-14-3-1-2-11(17(14)21)6-10-4-5-15-12(7-10)18(25)13(19(26)27)8-23(15)9-16(22)24/h1-5,7-8H,6,9H2,(H2,22,24)(H,26,27)
• InChIKey: UDKLDLMPRXYJPF-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 102.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.24
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid (CID 5276974) is 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid is NC(=O)Cn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21.

What is the InChIKey of 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is UDKLDLMPRXYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c20-14-3-1-2-11(17(14)21)6-10-4-5-15-12(7-10)18(25)13(19(26)27)8-23(15)9-16(22)24/h1-5,7-8H,6,9H2,(H2,22,24)(H,26,27).

What are the key properties of 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid?

1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 405.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-oxoethyl)-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 5276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).