4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline

C16H12ClN2O4S- — CID 155099893

IUPAC4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(Oc3ccc(NS(=O)[O-])c(Cl)c3)ccnc2c1
InChIInChI=1S/C16H13ClN2O4S/c1-22-10-2-4-12-15(9-10)18-7-6-16(12)23-11-3-5-14(13(17)8-11)19-24(20)21/h2-9,19H,1H3,(H,20,21)/p-1
InChIKeySQFYVRXIRVJDTD-UHFFFAOYSA-M
MW363.80 g/mol
LogP3.90
Rot. Bonds5

About 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline

4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline (PubChem CID 155099893) has the molecular formula C16H12ClN2O4S- and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline.

Molecular Properties

Compound Name4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline
PubChem CID155099893
Molecular FormulaC16H12ClN2O4S-
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC Name4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(Oc3ccc(NS(=O)[O-])c(Cl)c3)ccnc2c1
InChIInChI=1S/C16H13ClN2O4S/c1-22-10-2-4-12-15(9-10)18-7-6-16(12)23-11-3-5-14(13(17)8-11)19-24(20)21/h2-9,19H,1H3,(H,20,21)/p-1
InChIKeySQFYVRXIRVJDTD-UHFFFAOYSA-M
XLogP3.90
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
CID 155100012
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline?
The IUPAC name of 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline (CID 155099893) is 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline.
What is the SMILES notation for 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline?
The canonical SMILES for 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline is COc1ccc2c(Oc3ccc(NS(=O)[O-])c(Cl)c3)ccnc2c1.
What is the InChIKey of 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline?
The InChIKey is SQFYVRXIRVJDTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13ClN2O4S/c1-22-10-2-4-12-15(9-10)18-7-6-16(12)23-11-3-5-14(13(17)8-11)19-24(20)21/h2-9,19H,1H3,(H,20,21)/p-1.
What are the key properties of 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline?
4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline has a molecular weight of 363.80 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline is sourced from PubChem (CID 155099893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).