7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline

C18H18N2O3S — CID 155100032

IUPAC7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
SMILESCOc1ccc2c(-c3ccc(C(C)NS(=O)O)cc3)ccnc2c1
InChIInChI=1S/C18H18N2O3S/c1-12(20-24(21)22)13-3-5-14(6-4-13)16-9-10-19-18-11-15(23-2)7-8-17(16)18/h3-12,20H,1-2H3,(H,21,22)
InChIKeyGJDCKALAQXPLEA-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.70
Rot. Bonds5

About 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline

7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline (PubChem CID 155100032) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
PubChem CID155100032
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
SMILESCOc1ccc2c(-c3ccc(C(C)NS(=O)O)cc3)ccnc2c1
InChIInChI=1S/C18H18N2O3S/c1-12(20-24(21)22)13-3-5-14(6-4-13)16-9-10-19-18-11-15(23-2)7-8-17(16)18/h3-12,20H,1-2H3,(H,21,22)
InChIKeyGJDCKALAQXPLEA-UHFFFAOYSA-N
XLogP3.70
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline
CID 151937578
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
bis[4-(7-methoxyquinolin-4-yl)-2-methylphenyl] propanedioate
CID 175394062
methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
CID 170169423
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
CID 155100012
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline
CID 155100128
3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
CID 175787265
(R)-(4-bromophenyl)-(7-methoxyquinolin-4-yl)methanol
CID 124560040
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
CID 155099810

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline?
The IUPAC name of 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline (CID 155100032) is 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline.
What is the SMILES notation for 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline?
The canonical SMILES for 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline is COc1ccc2c(-c3ccc(C(C)NS(=O)O)cc3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline?
The InChIKey is GJDCKALAQXPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12(20-24(21)22)13-3-5-14(6-4-13)16-9-10-19-18-11-15(23-2)7-8-17(16)18/h3-12,20H,1-2H3,(H,21,22).
What are the key properties of 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline?
7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline has a molecular weight of 342.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline is sourced from PubChem (CID 155100032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).