6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate

C19H14Cl2NO4- — CID 58801769

IUPAC6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
SMILESO=C([O-])c1cn(CCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O
InChIInChI=1S/C19H15Cl2NO4/c20-15-3-1-2-12(17(15)21)8-11-4-5-16-13(9-11)18(24)14(19(25)26)10-22(16)6-7-23/h1-5,9-10,23H,6-8H2,(H,25,26)/p-1
InChIKeyJZCZZGZHZXJOHY-UHFFFAOYSA-M
MW391.23 g/mol
LogP2.25
Rot. Bonds5

About 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate

6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate (PubChem CID 58801769) has the molecular formula C19H14Cl2NO4- and a molecular weight of 391.23 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
PubChem CID58801769
Molecular FormulaC19H14Cl2NO4-
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
SMILESO=C([O-])c1cn(CCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O
InChIInChI=1S/C19H15Cl2NO4/c20-15-3-1-2-12(17(15)21)8-11-4-5-16-13(9-11)18(24)14(19(25)26)10-22(16)6-7-23/h1-5,9-10,23H,6-8H2,(H,25,26)/p-1
InChIKeyJZCZZGZHZXJOHY-UHFFFAOYSA-M
XLogP2.25
TPSA82.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate (CID 58801769) is 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate is O=C([O-])c1cn(CCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O.
What is the InChIKey of 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate?
The InChIKey is JZCZZGZHZXJOHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15Cl2NO4/c20-15-3-1-2-12(17(15)21)8-11-4-5-16-13(9-11)18(24)14(19(25)26)10-22(16)6-7-23/h1-5,9-10,23H,6-8H2,(H,25,26)/p-1.
What are the key properties of 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate?
6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate has a molecular weight of 391.23 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 58801769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).