2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid

C19H15Cl2NO4 — CID 169148512

IUPAC2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCn1c(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H15Cl2NO4/c1-3-22-15-7-5-11(26-2)9-12(15)18(23)16(19(24)25)17(22)10-4-6-13(20)14(21)8-10/h4-9H,3H2,1-2H3,(H,24,25)
InChIKeyNUSSZCZLKNZZQX-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.70
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid

2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 169148512) has the molecular formula C19H15Cl2NO4 and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID169148512
Molecular FormulaC19H15Cl2NO4
Molecular Weight392.24 g/mol
Exact Mass391.04
IUPAC Name2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCn1c(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H15Cl2NO4/c1-3-22-15-7-5-11(26-2)9-12(15)18(23)16(19(24)25)17(22)10-4-6-13(20)14(21)8-10/h4-9H,3H2,1-2H3,(H,24,25)
InChIKeyNUSSZCZLKNZZQX-UHFFFAOYSA-N
XLogP4.70
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid (CID 169148512) is 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid is CCn1c(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is NUSSZCZLKNZZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4/c1-3-22-15-7-5-11(26-2)9-12(15)18(23)16(19(24)25)17(22)10-4-6-13(20)14(21)8-10/h4-9H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 392.24 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 169148512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).