(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone

C18H21NO4S — CID 97027443

IUPAC(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCCC[C@H]1CCc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C18H21NO4S/c1-3-6-14-10-9-13-7-4-5-8-15(13)19(14)18(20)16-11-12-17(23-16)24(2,21)22/h4-5,7-8,11-12,14H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKeyLNQDBYITEOXBFC-AWEZNQCLSA-N
MW347.44 g/mol
LogP3.44
Rot. Bonds4

About (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone

(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 97027443) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID97027443
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCCC[C@H]1CCc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C18H21NO4S/c1-3-6-14-10-9-13-7-4-5-8-15(13)19(14)18(20)16-11-12-17(23-16)24(2,21)22/h4-5,7-8,11-12,14H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKeyLNQDBYITEOXBFC-AWEZNQCLSA-N
XLogP3.44
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 97027443) is (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone is CCC[C@H]1CCc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)o1.
What is the InChIKey of (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is LNQDBYITEOXBFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-6-14-10-9-13-7-4-5-8-15(13)19(14)18(20)16-11-12-17(23-16)24(2,21)22/h4-5,7-8,11-12,14H,3,6,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 347.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 97027443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).