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

C19H15Cl2NO3 — CID 5277004

IUPAC6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21
InChIInChI=1S/C19H15Cl2NO3/c1-2-22-10-14(19(24)25)18(23)13-9-11(6-7-16(13)22)8-12-4-3-5-15(20)17(12)21/h3-7,9-10H,2,8H2,1H3,(H,24,25)
InChIKeyHVWVEBJNUHGACI-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.62
Rot. Bonds4

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

6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 5277004) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID5277004
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21
InChIInChI=1S/C19H15Cl2NO3/c1-2-22-10-14(19(24)25)18(23)13-9-11(6-7-16(13)22)8-12-4-3-5-15(20)17(12)21/h3-7,9-10H,2,8H2,1H3,(H,24,25)
InChIKeyHVWVEBJNUHGACI-UHFFFAOYSA-N
XLogP4.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid (CID 5277004) is 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21.
What is the InChIKey of 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HVWVEBJNUHGACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-2-22-10-14(19(24)25)18(23)13-9-11(6-7-16(13)22)8-12-4-3-5-15(20)17(12)21/h3-7,9-10H,2,8H2,1H3,(H,24,25).
What are the key properties of 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 376.24 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 5277004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).