1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H17NO2 — CID 112765907

IUPAC1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO2/c1-13-10-11-14-6-2-4-8-16(14)20(13)19(21)18-12-15-7-3-5-9-17(15)22-18/h2-9,12-13H,10-11H2,1H3
InChIKeyWTAYZVCJIOHVRO-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.41
Rot. Bonds1

About 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 112765907) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID112765907
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO2/c1-13-10-11-14-6-2-4-8-16(14)20(13)19(21)18-12-15-7-3-5-9-17(15)22-18/h2-9,12-13H,10-11H2,1H3
InChIKeyWTAYZVCJIOHVRO-UHFFFAOYSA-N
XLogP4.41
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765978
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62239405
[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 95898234
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929
(5-amino-1H-pyrazol-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43337139
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 112765907) is 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is WTAYZVCJIOHVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-10-11-14-6-2-4-8-16(14)20(13)19(21)18-12-15-7-3-5-9-17(15)22-18/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 112765907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).