1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol

C18H19N3O3S — CID 170592785

IUPAC1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol
SMILESCOc1nccc2c(Oc3ccc(SNCC(C)O)cc3)ccnc12
InChIInChI=1S/C18H19N3O3S/c1-12(22)11-21-25-14-5-3-13(4-6-14)24-16-8-10-19-17-15(16)7-9-20-18(17)23-2/h3-10,12,21-22H,11H2,1-2H3
InChIKeyAXCLGXYASFESHY-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.41
Rot. Bonds7

About 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol

1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol (PubChem CID 170592785) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol
PubChem CID170592785
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol
SMILESCOc1nccc2c(Oc3ccc(SNCC(C)O)cc3)ccnc12
InChIInChI=1S/C18H19N3O3S/c1-12(22)11-21-25-14-5-3-13(4-6-14)24-16-8-10-19-17-15(16)7-9-20-18(17)23-2/h3-10,12,21-22H,11H2,1-2H3
InChIKeyAXCLGXYASFESHY-UHFFFAOYSA-N
XLogP3.41
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 170592723
4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 170336010
CID 170415309
CID 170415309
1-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]sulfanylamino]propan-2-ol
CID 168886780
8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine
CID 177053181
N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide
CID 170592709
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one
CID 170592737
4-(4-methylsulfanylphenoxy)quinolin-8-amine
CID 83060179
N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 168886837
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
(2R)-1-[[N-[(1R)-1-(4-methoxyphenyl)ethyl]-S-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-2-ol
CID 168886681

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol?
The IUPAC name of 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol (CID 170592785) is 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol?
The canonical SMILES for 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol is COc1nccc2c(Oc3ccc(SNCC(C)O)cc3)ccnc12.
What is the InChIKey of 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol?
The InChIKey is AXCLGXYASFESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(22)11-21-25-14-5-3-13(4-6-14)24-16-8-10-19-17-15(16)7-9-20-18(17)23-2/h3-10,12,21-22H,11H2,1-2H3.
What are the key properties of 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol?
1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol has a molecular weight of 357.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol is sourced from PubChem (CID 170592785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).