N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine

C30H36N6S — CID 157044188

IUPACN-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine
SMILESC=Cc1ccc(Nc2ccnc3ccc(C)cc23)cc1.CNc1ccc(NC23CC2(N)C3)cc1.CSN
InChIInChI=1S/C18H16N2.C11H15N3.CH5NS/c1-3-14-5-7-15(8-6-14)20-18-10-11-19-17-9-4-13(2)12-16(17)18;1-13-8-2-4-9(5-3-8)14-11-6-10(11,12)7-11;1-3-2/h3-12H,1H2,2H3,(H,19,20);2-5,13-14H,6-7,12H2,1H3;2H2,1H3
InChIKeyASORHOJSZZVTLF-UHFFFAOYSA-N
MW512.73 g/mol
LogP6.54
Rot. Bonds6

About N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine

N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine (PubChem CID 157044188) has the molecular formula C30H36N6S and a molecular weight of 512.73 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine
PubChem CID157044188
Molecular FormulaC30H36N6S
Molecular Weight512.73 g/mol
Exact Mass512.27
IUPAC NameN-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine
SMILESC=Cc1ccc(Nc2ccnc3ccc(C)cc23)cc1.CNc1ccc(NC23CC2(N)C3)cc1.CSN
InChIInChI=1S/C18H16N2.C11H15N3.CH5NS/c1-3-14-5-7-15(8-6-14)20-18-10-11-19-17-9-4-13(2)12-16(17)18;1-13-8-2-4-9(5-3-8)14-11-6-10(11,12)7-11;1-3-2/h3-12H,1H2,2H3,(H,19,20);2-5,13-14H,6-7,12H2,1H3;2H2,1H3
InChIKeyASORHOJSZZVTLF-UHFFFAOYSA-N
XLogP6.54
TPSA101.02 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.73
LogP ≤ 56.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine with MolForge

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Related Compounds

N-(4-ethenylphenyl)-6-methylquinolin-4-amine
CID 157044190
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
CID 123394098
1-[4-[(2-amino-6-methylpyrimidin-4-yl)methyl]phenyl]-2-[4-[(6-methylquinolin-4-yl)amino]phenyl]ethanone
CID 58472419
N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[(6-methylquinolin-4-yl)amino]benzamide
CID 58472452
4-amino-N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide;N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[(6-methylquinolin-4-yl)amino]benzamide;methane
CID 172943021
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
4-N-pyridin-4-ylquinoline-4,6-diamine
CID 91040633
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
CID 157043478
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
CID 123640508

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine?
The IUPAC name of N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine (CID 157044188) is N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine.
What is the SMILES notation for N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine?
The canonical SMILES for N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine is C=Cc1ccc(Nc2ccnc3ccc(C)cc23)cc1.CNc1ccc(NC23CC2(N)C3)cc1.CSN.
What is the InChIKey of N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine?
The InChIKey is ASORHOJSZZVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.C11H15N3.CH5NS/c1-3-14-5-7-15(8-6-14)20-18-10-11-19-17-9-4-13(2)12-16(17)18;1-13-8-2-4-9(5-3-8)14-11-6-10(11,12)7-11;1-3-2/h3-12H,1H2,2H3,(H,19,20);2-5,13-14H,6-7,12H2,1H3;2H2,1H3.
What are the key properties of N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine?
N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine has a molecular weight of 512.73 g/mol, XLogP of 6.54, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-6-methylquinolin-4-amine;3-N-[4-(methylamino)phenyl]bicyclo[1.1.0]butane-1,3-diamine;S-methylthiohydroxylamine is sourced from PubChem (CID 157044188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).