N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine

C19H15N3S — CID 70166415

IUPACN-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine
SMILESCSc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C19H15N3S/c1-23-16-8-6-15(7-9-16)21-19-12-20-17-10-13-4-2-3-5-14(13)11-18(17)22-19/h2-12H,1H3,(H,21,22)
InChIKeyVEQBRMDMTFBUKX-UHFFFAOYSA-N
MW317.42 g/mol
LogP5.25
Rot. Bonds3

About N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine

N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine (PubChem CID 70166415) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine
PubChem CID70166415
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC NameN-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine
SMILESCSc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C19H15N3S/c1-23-16-8-6-15(7-9-16)21-19-12-20-17-10-13-4-2-3-5-14(13)11-18(17)22-19/h2-12H,1H3,(H,21,22)
InChIKeyVEQBRMDMTFBUKX-UHFFFAOYSA-N
XLogP5.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-phenylbenzo[g]quinoxalin-3-amine
CID 5273861
N-(4-bromophenyl)benzo[g]quinoxalin-3-amine
CID 70165769
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
CID 108777589
N-naphthalen-2-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174861
5-bromo-2-N-(4-methylsulfanylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 59683156
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
CID 91560240
N-quinolin-3-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174905
1,6-dimethyl-4-N-(4-methylsulfanylphenyl)pyrimidin-1-ium-2,4-diamine
CID 19754145
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine (CID 70166415) is N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine is CSc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine?
The InChIKey is VEQBRMDMTFBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-23-16-8-6-15(7-9-16)21-19-12-20-17-10-13-4-2-3-5-14(13)11-18(17)22-19/h2-12H,1H3,(H,21,22).
What are the key properties of N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine?
N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine has a molecular weight of 317.42 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine is sourced from PubChem (CID 70166415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).