4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine

C17H17N5OS — CID 170592741

IUPAC4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine
SMILESCNS.COc1nccc2c(Nc3ccccc3)c(C#N)cnc12
InChIInChI=1S/C16H12N4O.CH5NS/c1-21-16-15-13(7-8-18-16)14(11(9-17)10-19-15)20-12-5-3-2-4-6-12;1-2-3/h2-8,10H,1H3,(H,19,20);2-3H,1H3
InChIKeyASRZRZGHONXOIW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.30
Rot. Bonds3

About 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine

4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine (PubChem CID 170592741) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine.

Molecular Properties

Compound Name4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine
PubChem CID170592741
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine
SMILESCNS.COc1nccc2c(Nc3ccccc3)c(C#N)cnc12
InChIInChI=1S/C16H12N4O.CH5NS/c1-21-16-15-13(7-8-18-16)14(11(9-17)10-19-15)20-12-5-3-2-4-6-12;1-2-3/h2-8,10H,1H3,(H,19,20);2-3H,1H3
InChIKeyASRZRZGHONXOIW-UHFFFAOYSA-N
XLogP3.30
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
4-(4-phenoxyanilino)benzo[h]quinoline-3-carbonitrile
CID 69372675
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
CID 90766636
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine
CID 170592789
8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
CID 57076882
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656

Frequently Asked Questions

What is the IUPAC name of 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine?
The IUPAC name of 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine (CID 170592741) is 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine.
What is the SMILES notation for 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine?
The canonical SMILES for 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine is CNS.COc1nccc2c(Nc3ccccc3)c(C#N)cnc12.
What is the InChIKey of 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine?
The InChIKey is ASRZRZGHONXOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O.CH5NS/c1-21-16-15-13(7-8-18-16)14(11(9-17)10-19-15)20-12-5-3-2-4-6-12;1-2-3/h2-8,10H,1H3,(H,19,20);2-3H,1H3.
What are the key properties of 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine?
4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine has a molecular weight of 339.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-8-methoxy-1,7-naphthyridine-3-carbonitrile;N-methylthiohydroxylamine is sourced from PubChem (CID 170592741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).