1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline

C19H22N2O2S — CID 110715223

IUPAC1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline
SMILESCc1ccc(CS(=O)(=O)N2CCN(C3CC3)c3ccccc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-6-8-16(9-7-15)14-24(22,23)21-13-12-20(17-10-11-17)18-4-2-3-5-19(18)21/h2-9,17H,10-14H2,1H3
InChIKeyCBGYJQXQFZPINA-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.31
Rot. Bonds4

About 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline

1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline (PubChem CID 110715223) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline
PubChem CID110715223
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline
SMILESCc1ccc(CS(=O)(=O)N2CCN(C3CC3)c3ccccc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-6-8-16(9-7-15)14-24(22,23)21-13-12-20(17-10-11-17)18-4-2-3-5-19(18)21/h2-9,17H,10-14H2,1H3
InChIKeyCBGYJQXQFZPINA-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 110715148
1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
CID 110715152
4-[(4-methylphenyl)methylsulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314596
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715217
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871849
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
CID 110637203
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
2-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 20718917
1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
CID 110871226
methyl 2-[1-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroindol-3-yl]acetate
CID 110672711

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline?
The IUPAC name of 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline (CID 110715223) is 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline?
The canonical SMILES for 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline is Cc1ccc(CS(=O)(=O)N2CCN(C3CC3)c3ccccc32)cc1.
What is the InChIKey of 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline?
The InChIKey is CBGYJQXQFZPINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-6-8-16(9-7-15)14-24(22,23)21-13-12-20(17-10-11-17)18-4-2-3-5-19(18)21/h2-9,17H,10-14H2,1H3.
What are the key properties of 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline?
1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline has a molecular weight of 342.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline is sourced from PubChem (CID 110715223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).