2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C21H19ClFNO2 — CID 18871990

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc2occ(CC(=O)N3c4ccc(F)cc4CCC3C)c2cc1Cl
InChIInChI=1S/C21H19ClFNO2/c1-12-7-20-17(10-18(12)22)15(11-26-20)9-21(25)24-13(2)3-4-14-8-16(23)5-6-19(14)24/h5-8,10-11,13H,3-4,9H2,1-2H3
InChIKeyNJQZJCGHJHAKOG-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.44
Rot. Bonds2

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 18871990) has the molecular formula C21H19ClFNO2 and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID18871990
Molecular FormulaC21H19ClFNO2
Molecular Weight371.84 g/mol
Exact Mass371.11
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc2occ(CC(=O)N3c4ccc(F)cc4CCC3C)c2cc1Cl
InChIInChI=1S/C21H19ClFNO2/c1-12-7-20-17(10-18(12)22)15(11-26-20)9-21(25)24-13(2)3-4-14-8-16(23)5-6-19(14)24/h5-8,10-11,13H,3-4,9H2,1-2H3
InChIKeyNJQZJCGHJHAKOG-UHFFFAOYSA-N
XLogP5.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40591218
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16878635
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
2-(3,4-dimethoxyphenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40599402
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 5220666
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
CID 137339572
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 3648502
(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 6991795
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 18872148

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 18871990) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cc2occ(CC(=O)N3c4ccc(F)cc4CCC3C)c2cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is NJQZJCGHJHAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO2/c1-12-7-20-17(10-18(12)22)15(11-26-20)9-21(25)24-13(2)3-4-14-8-16(23)5-6-19(14)24/h5-8,10-11,13H,3-4,9H2,1-2H3.
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 371.84 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 18871990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).