7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline

C15H13N3O4S — CID 155100012

IUPAC7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
SMILESCOc1ccc2c(Oc3ccc(NS(=O)O)cn3)ccnc2c1
InChIInChI=1S/C15H13N3O4S/c1-21-11-3-4-12-13(8-11)16-7-6-14(12)22-15-5-2-10(9-17-15)18-23(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyDWUKRGSXPBQUHM-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.98
Rot. Bonds5

About 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline

7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline (PubChem CID 155100012) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
PubChem CID155100012
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
SMILESCOc1ccc2c(Oc3ccc(NS(=O)O)cn3)ccnc2c1
InChIInChI=1S/C15H13N3O4S/c1-21-11-3-4-12-13(8-11)16-7-6-14(12)22-15-5-2-10(9-17-15)18-23(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyDWUKRGSXPBQUHM-UHFFFAOYSA-N
XLogP2.98
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
CID 166562049
4,7-dimethoxyquinoline
CID 20743716
4-[3-chloro-4-(sulfinatoamino)phenoxy]-7-methoxyquinoline
CID 155099893
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
CID 155100032
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
CID 157040683
4-[2,5-difluoro-4-(sulfinoamino)phenoxy]-6,7-dimethoxyquinoline
CID 155099854
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline?
The IUPAC name of 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline (CID 155100012) is 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline?
The canonical SMILES for 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline is COc1ccc2c(Oc3ccc(NS(=O)O)cn3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline?
The InChIKey is DWUKRGSXPBQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-21-11-3-4-12-13(8-11)16-7-6-14(12)22-15-5-2-10(9-17-15)18-23(19)20/h2-9,18H,1H3,(H,19,20).
What are the key properties of 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline?
7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline has a molecular weight of 331.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline is sourced from PubChem (CID 155100012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).