6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid

C12H10ClNO4 — CID 137443735

IUPAC6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid
SMILESCOCOc1cnc2ccc(Cl)cc2c1C(=O)O
InChIInChI=1S/C12H10ClNO4/c1-17-6-18-10-5-14-9-3-2-7(13)4-8(9)11(10)12(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyZXQQDIRCARCHAZ-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.57
Rot. Bonds4

About 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid

6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid (PubChem CID 137443735) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid
PubChem CID137443735
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid
SMILESCOCOc1cnc2ccc(Cl)cc2c1C(=O)O
InChIInChI=1S/C12H10ClNO4/c1-17-6-18-10-5-14-9-3-2-7(13)4-8(9)11(10)12(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyZXQQDIRCARCHAZ-UHFFFAOYSA-N
XLogP2.57
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid (CID 137443735) is 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid is COCOc1cnc2ccc(Cl)cc2c1C(=O)O.
What is the InChIKey of 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid?
The InChIKey is ZXQQDIRCARCHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-17-6-18-10-5-14-9-3-2-7(13)4-8(9)11(10)12(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid?
6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methoxymethoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 137443735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).