6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline

C17H17N3O4S — CID 155100128

IUPAC6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline
SMILESCOc1cc2nccc(-c3ccc(CNS(=O)O)nc3)c2cc1OC
InChIInChI=1S/C17H17N3O4S/c1-23-16-7-14-13(5-6-18-15(14)8-17(16)24-2)11-3-4-12(19-9-11)10-20-25(21)22/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyNXAFSGVJQFXQGP-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.54
Rot. Bonds6

About 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline

6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline (PubChem CID 155100128) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline
PubChem CID155100128
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline
SMILESCOc1cc2nccc(-c3ccc(CNS(=O)O)nc3)c2cc1OC
InChIInChI=1S/C17H17N3O4S/c1-23-16-7-14-13(5-6-18-15(14)8-17(16)24-2)11-3-4-12(19-9-11)10-20-25(21)22/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyNXAFSGVJQFXQGP-UHFFFAOYSA-N
XLogP2.54
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.54
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

N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
CID 146574108
2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
CID 154630885
3-cyano-6-fluoro-7-methoxy-4-[4-[(sulfinoamino)methyl]phenyl]quinoline
CID 155099918
7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
CID 155100032
methane;4,6,7-trimethoxyquinoline
CID 157066291
tert-butyl N-[[4-(6,7-dimethoxyquinolin-4-yl)phenyl]methyl]-N-methylcarbamate
CID 154630901
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
[5-(6,7-dimethoxyquinazolin-4-yl)-2-pyridinyl]methylphosphonous acid
CID 163399431
3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline
CID 166703667
4-[2,5-difluoro-4-(sulfinoamino)phenoxy]-6,7-dimethoxyquinoline
CID 155099854

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline?
The IUPAC name of 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline (CID 155100128) is 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline?
The canonical SMILES for 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline is COc1cc2nccc(-c3ccc(CNS(=O)O)nc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline?
The InChIKey is NXAFSGVJQFXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-23-16-7-14-13(5-6-18-15(14)8-17(16)24-2)11-3-4-12(19-9-11)10-20-25(21)22/h3-9,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline?
6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline has a molecular weight of 359.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 155100128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).