2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate

C19H18ClFN2O4S — CID 142641276

IUPAC2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate
SMILESCOCCOS(=O)c1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OC
InChIInChI=1S/C19H18ClFN2O4S/c1-25-7-8-27-28(24)19-10-13-15(5-6-22-17(13)11-18(19)26-2)23-16-4-3-12(20)9-14(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyZLMSUGZKHKJQRJ-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.47
Rot. Bonds8

About 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate

2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate (PubChem CID 142641276) has the molecular formula C19H18ClFN2O4S and a molecular weight of 424.88 g/mol. Its IUPAC name is 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate.

Molecular Properties

Compound Name2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate
PubChem CID142641276
Molecular FormulaC19H18ClFN2O4S
Molecular Weight424.88 g/mol
Exact Mass424.07
IUPAC Name2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate
SMILESCOCCOS(=O)c1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OC
InChIInChI=1S/C19H18ClFN2O4S/c1-25-7-8-27-28(24)19-10-13-15(5-6-22-17(13)11-18(19)26-2)23-16-4-3-12(20)9-14(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyZLMSUGZKHKJQRJ-UHFFFAOYSA-N
XLogP4.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
CID 22646535
4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile
CID 135673964
N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)-6-nitroquinazolin-4-amine
CID 18753423
4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinoline-4,6-diamine
CID 141004590
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
4-(3-chloroanilino)-7-methoxyquinolin-6-ol
CID 25000015
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate?
The IUPAC name of 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate (CID 142641276) is 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate.
What is the SMILES notation for 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate?
The canonical SMILES for 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate is COCCOS(=O)c1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OC.
What is the InChIKey of 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate?
The InChIKey is ZLMSUGZKHKJQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O4S/c1-25-7-8-27-28(24)19-10-13-15(5-6-22-17(13)11-18(19)26-2)23-16-4-3-12(20)9-14(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate?
2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate has a molecular weight of 424.88 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate is sourced from PubChem (CID 142641276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).