3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole

C18H18N2O3S — CID 72719868

IUPAC3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-13-8-9-17-14(11-13)5-4-10-20(17)24(21,22)12-16-15-6-2-3-7-18(15)23-19-16/h2-3,6-9,11H,4-5,10,12H2,1H3
InChIKeyRCGWCRZGNDBCEO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds3

About 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole

3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole (PubChem CID 72719868) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole
PubChem CID72719868
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-13-8-9-17-14(11-13)5-4-10-20(17)24(21,22)12-16-15-6-2-3-7-18(15)23-19-16/h2-3,6-9,11H,4-5,10,12H2,1H3
InChIKeyRCGWCRZGNDBCEO-UHFFFAOYSA-N
XLogP3.42
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
The IUPAC name of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole (CID 72719868) is 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole is Cc1ccc2c(c1)CCCN2S(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
The InChIKey is RCGWCRZGNDBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-8-9-17-14(11-13)5-4-10-20(17)24(21,22)12-16-15-6-2-3-7-18(15)23-19-16/h2-3,6-9,11H,4-5,10,12H2,1H3.
What are the key properties of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole has a molecular weight of 342.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole is sourced from PubChem (CID 72719868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).