N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide

C18H20N4O3S — CID 170592709

IUPACN-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide
SMILESCOc1nccc2c(Nc3ccc(S(=O)NCC(C)O)cc3)ccnc12
InChIInChI=1S/C18H20N4O3S/c1-12(23)11-21-26(24)14-5-3-13(4-6-14)22-16-8-10-19-17-15(16)7-9-20-18(17)25-2/h3-10,12,21,23H,11H2,1-2H3,(H,19,22)
InChIKeyVBIKYQPUUQINKE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.38
Rot. Bonds7

About N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide

N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide (PubChem CID 170592709) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide
PubChem CID170592709
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide
SMILESCOc1nccc2c(Nc3ccc(S(=O)NCC(C)O)cc3)ccnc12
InChIInChI=1S/C18H20N4O3S/c1-12(23)11-21-26(24)14-5-3-13(4-6-14)22-16-8-10-19-17-15(16)7-9-20-18(17)25-2/h3-10,12,21,23H,11H2,1-2H3,(H,19,22)
InChIKeyVBIKYQPUUQINKE-UHFFFAOYSA-N
XLogP2.38
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]phenyl]sulfonimidoyl]-N',N'-dimethylethane-1,2-diamine
CID 170414696
N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine
CID 170414698
N',N'-dimethylethane-1,2-diamine;methanethiol;8-methoxy-N-phenyl-1,7-naphthyridin-4-amine
CID 170592789
1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol
CID 170592785
1-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]sulfanylamino]propan-2-ol
CID 168886780
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
CID 53269521
7-chloro-N-(4-chlorophenyl)-8-methylquinolin-4-amine
CID 43860092
N-[4-[(8-fluoroquinolin-4-yl)amino]phenyl]acetamide
CID 43833029
N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
CID 118352001

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide?
The IUPAC name of N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide (CID 170592709) is N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide is COc1nccc2c(Nc3ccc(S(=O)NCC(C)O)cc3)ccnc12.
What is the InChIKey of N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide?
The InChIKey is VBIKYQPUUQINKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12(23)11-21-26(24)14-5-3-13(4-6-14)22-16-8-10-19-17-15(16)7-9-20-18(17)25-2/h3-10,12,21,23H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide?
N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide has a molecular weight of 372.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-[(8-methoxy-1,7-naphthyridin-4-yl)amino]benzenesulfinamide is sourced from PubChem (CID 170592709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).