7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde

C17H11Cl2NO4 — CID 166804674

IUPAC7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCn1c(=O)c(C=O)c(O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc21
InChIInChI=1S/C17H11Cl2NO4/c1-20-15-7-10(24-9-3-5-13(18)14(19)6-9)2-4-11(15)16(22)12(8-21)17(20)23/h2-8,22H,1H3
InChIKeyVTRYKSIRRKJNPK-UHFFFAOYSA-N
MW364.18 g/mol
LogP4.16
Rot. Bonds3

About 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde

7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 166804674) has the molecular formula C17H11Cl2NO4 and a molecular weight of 364.18 g/mol. Its IUPAC name is 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde
PubChem CID166804674
Molecular FormulaC17H11Cl2NO4
Molecular Weight364.18 g/mol
Exact Mass363.01
IUPAC Name7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCn1c(=O)c(C=O)c(O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc21
InChIInChI=1S/C17H11Cl2NO4/c1-20-15-7-10(24-9-3-5-13(18)14(19)6-9)2-4-11(15)16(22)12(8-21)17(20)23/h2-8,22H,1H3
InChIKeyVTRYKSIRRKJNPK-UHFFFAOYSA-N
XLogP4.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde (CID 166804674) is 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde is Cn1c(=O)c(C=O)c(O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc21.
What is the InChIKey of 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is VTRYKSIRRKJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4/c1-20-15-7-10(24-9-3-5-13(18)14(19)6-9)2-4-11(15)16(22)12(8-21)17(20)23/h2-8,22H,1H3.
What are the key properties of 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 364.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 166804674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).