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

C19H17NO2 — CID 888386

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C19H17NO2/c1-13-15-9-3-5-11-17(15)22-18(13)19(21)20-12-6-8-14-7-2-4-10-16(14)20/h2-5,7,9-11H,6,8,12H2,1H3
InChIKeyOHVUIPKVKHIXJL-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.33
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 888386) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID888386
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C19H17NO2/c1-13-15-9-3-5-11-17(15)22-18(13)19(21)20-12-6-8-14-7-2-4-10-16(14)20/h2-5,7,9-11H,6,8,12H2,1H3
InChIKeyOHVUIPKVKHIXJL-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Befuraline
CID 68664
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
Befuraline hydrochloride
CID 73346
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone (CID 888386) is 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCCc3ccccc32)oc2ccccc12.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is OHVUIPKVKHIXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-15-9-3-5-11-17(15)22-18(13)19(21)20-12-6-8-14-7-2-4-10-16(14)20/h2-5,7,9-11H,6,8,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 888386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).