N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine

C18H18N4O2S — CID 118351978

IUPACN-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine
SMILESCS(C)(C)(=O)c1ccc2nccc(Nc3ccc4nonc4c3)c2c1
InChIInChI=1S/C18H18N4O2S/c1-25(2,3,23)13-5-7-15-14(11-13)16(8-9-19-15)20-12-4-6-17-18(10-12)22-24-21-17/h4-11H,1-3H3,(H,19,20)
InChIKeyQJWVFOXZFMBRQS-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.58
Rot. Bonds3

About N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine

N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine (PubChem CID 118351978) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine.

Molecular Properties

Compound NameN-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine
PubChem CID118351978
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine
SMILESCS(C)(C)(=O)c1ccc2nccc(Nc3ccc4nonc4c3)c2c1
InChIInChI=1S/C18H18N4O2S/c1-25(2,3,23)13-5-7-15-14(11-13)16(8-9-19-15)20-12-4-6-17-18(10-12)22-24-21-17/h4-11H,1-3H3,(H,19,20)
InChIKeyQJWVFOXZFMBRQS-UHFFFAOYSA-N
XLogP3.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine with MolForge

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Related Compounds

N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 171618380
N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
CID 118352001
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
CID 67466931
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
N-(4-ethenylphenyl)-6-methylquinolin-4-amine
CID 157044190
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 67468809

Frequently Asked Questions

What is the IUPAC name of N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine?
The IUPAC name of N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine (CID 118351978) is N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine.
What is the SMILES notation for N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine?
The canonical SMILES for N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine is CS(C)(C)(=O)c1ccc2nccc(Nc3ccc4nonc4c3)c2c1.
What is the InChIKey of N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine?
The InChIKey is QJWVFOXZFMBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-25(2,3,23)13-5-7-15-14(11-13)16(8-9-19-15)20-12-4-6-17-18(10-12)22-24-21-17/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine?
N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine has a molecular weight of 354.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine is sourced from PubChem (CID 118351978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).