(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C21H20N2O3S — CID 60530096

IUPAC(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)c2ccccc2n1
InChIInChI=1S/C21H20N2O3S/c1-14-12-18(17-7-3-4-8-19(17)22-14)21(24)23-11-5-6-15-13-16(27(2,25)26)9-10-20(15)23/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKeyQGNJMJLKLSSIIG-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.54
Rot. Bonds2

About (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 60530096) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID60530096
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)c2ccccc2n1
InChIInChI=1S/C21H20N2O3S/c1-14-12-18(17-7-3-4-8-19(17)22-14)21(24)23-11-5-6-15-13-16(27(2,25)26)9-10-20(15)23/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKeyQGNJMJLKLSSIIG-UHFFFAOYSA-N
XLogP3.54
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 60530096) is (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)c2ccccc2n1.
What is the InChIKey of (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QGNJMJLKLSSIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-12-18(17-7-3-4-8-19(17)22-14)21(24)23-11-5-6-15-13-16(27(2,25)26)9-10-20(15)23/h3-4,7-10,12-13H,5-6,11H2,1-2H3.
What are the key properties of (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 380.47 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 60530096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).