6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine

C13H15ClN2OS — CID 166483797

IUPAC6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine
SMILESCSCCCOc1ncc(C)c2cc(Cl)ncc12
InChIInChI=1S/C13H15ClN2OS/c1-9-7-16-13(17-4-3-5-18-2)11-8-15-12(14)6-10(9)11/h6-8H,3-5H2,1-2H3
InChIKeyDIYAEMVNAAIZRB-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.72
Rot. Bonds5

About 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine

6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine (PubChem CID 166483797) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine
PubChem CID166483797
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine
SMILESCSCCCOc1ncc(C)c2cc(Cl)ncc12
InChIInChI=1S/C13H15ClN2OS/c1-9-7-16-13(17-4-3-5-18-2)11-8-15-12(14)6-10(9)11/h6-8H,3-5H2,1-2H3
InChIKeyDIYAEMVNAAIZRB-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-chloro-1-(3-methylsulfanylpropoxy)-2,7-naphthyridin-4-yl]propan-1-amine;ethane;methanol
CID 166483396
1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
CID 166483385
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine
CID 167270360
4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
CID 165117429
N-[4-[[4-(aminomethyl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butan-2-yloxysulfanyl]-N-methylethanamine
CID 166483961
1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
CID 166483791
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
CID 107738867
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
CID 171097396
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484276

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine?
The IUPAC name of 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine (CID 166483797) is 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine?
The canonical SMILES for 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine is CSCCCOc1ncc(C)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine?
The InChIKey is DIYAEMVNAAIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-9-7-16-13(17-4-3-5-18-2)11-8-15-12(14)6-10(9)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine?
6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine has a molecular weight of 282.80 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine is sourced from PubChem (CID 166483797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).