N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine

C18H18N4O3S — CID 177392301

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc3ccccc3nc2CS(C)(=O)=O)cc1
InChIInChI=1S/C18H18N4O3S/c1-25-14-9-7-13(8-10-14)11-19-22-18-17(12-26(2,23)24)20-15-5-3-4-6-16(15)21-18/h3-11H,12H2,1-2H3,(H,21,22)/b19-11+
InChIKeyFXGDQMPUMVRQNC-YBFXNURJSA-N
MW370.43 g/mol
LogP2.63
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine

N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine (PubChem CID 177392301) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine
PubChem CID177392301
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc3ccccc3nc2CS(C)(=O)=O)cc1
InChIInChI=1S/C18H18N4O3S/c1-25-14-9-7-13(8-10-14)11-19-22-18-17(12-26(2,23)24)20-15-5-3-4-6-16(15)21-18/h3-11H,12H2,1-2H3,(H,21,22)/b19-11+
InChIKeyFXGDQMPUMVRQNC-YBFXNURJSA-N
XLogP2.63
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
CID 52949864
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
3-hydroxy-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 6868596
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
CID 3700231
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
CID 4143031
methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
CID 56725889
3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 46945272
3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine (CID 177392301) is N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine is COc1ccc(/C=N/Nc2nc3ccccc3nc2CS(C)(=O)=O)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine?
The InChIKey is FXGDQMPUMVRQNC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-14-9-7-13(8-10-14)11-19-22-18-17(12-26(2,23)24)20-15-5-3-4-6-16(15)21-18/h3-11H,12H2,1-2H3,(H,21,22)/b19-11+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine has a molecular weight of 370.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine is sourced from PubChem (CID 177392301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).