1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone

C18H13NO2 — CID 115608476

IUPAC1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1cccc2cccnc12
InChIInChI=1S/C18H13NO2/c20-18(13-6-7-14-10-21-11-15(14)9-13)16-5-1-3-12-4-2-8-19-17(12)16/h1-9H,10-11H2
InChIKeyRUDVTFVWBHHERR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.50
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone

1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone (PubChem CID 115608476) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
PubChem CID115608476
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1cccc2cccnc12
InChIInChI=1S/C18H13NO2/c20-18(13-6-7-14-10-21-11-15(14)9-13)16-5-1-3-12-4-2-8-19-17(12)16/h1-9H,10-11H2
InChIKeyRUDVTFVWBHHERR-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
CID 116552296
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
(3-bromofuran-2-yl)-quinolin-8-ylmethanone
CID 105101694
palladium;quinoline-8-carboxylic acid
CID 174945118
1,3-dihydro-2-benzofuran-5-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783689
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone (CID 115608476) is 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone is O=C(c1ccc2c(c1)COC2)c1cccc2cccnc12.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone?
The InChIKey is RUDVTFVWBHHERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(13-6-7-14-10-21-11-15(14)9-13)16-5-1-3-12-4-2-8-19-17(12)16/h1-9H,10-11H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone?
1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone is sourced from PubChem (CID 115608476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).