1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone

C22H19NO3 — CID 2576069

IUPAC1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1
InChIInChI=1S/C22H19NO3/c1-15(24)16-8-10-18(11-9-16)20-12-13-21(26-20)22(25)23-14-4-6-17-5-2-3-7-19(17)23/h2-3,5,7-13H,4,6,14H2,1H3
InChIKeyFLBWCVRFQAHLMT-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.74
Rot. Bonds3

About 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone

1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone (PubChem CID 2576069) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone
PubChem CID2576069
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1
InChIInChI=1S/C22H19NO3/c1-15(24)16-8-10-18(11-9-16)20-12-13-21(26-20)22(25)23-14-4-6-17-5-2-3-7-19(17)23/h2-3,5,7-13H,4,6,14H2,1H3
InChIKeyFLBWCVRFQAHLMT-UHFFFAOYSA-N
XLogP4.74
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone (CID 2576069) is 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1.
What is the InChIKey of 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone?
The InChIKey is FLBWCVRFQAHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15(24)16-8-10-18(11-9-16)20-12-13-21(26-20)22(25)23-14-4-6-17-5-2-3-7-19(17)23/h2-3,5,7-13H,4,6,14H2,1H3.
What are the key properties of 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone?
1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone has a molecular weight of 345.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone is sourced from PubChem (CID 2576069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).