1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone

C19H17NO3 — CID 110447723

IUPAC1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(-c2cnc3ccccc3c2)c1OC
InChIInChI=1S/C19H17NO3/c1-12(21)14-9-16(19(23-3)18(10-14)22-2)15-8-13-6-4-5-7-17(13)20-11-15/h4-11H,1-3H3
InChIKeyFGARYHNQBZGXBL-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.12
Rot. Bonds4

About 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone

1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone (PubChem CID 110447723) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
PubChem CID110447723
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(-c2cnc3ccccc3c2)c1OC
InChIInChI=1S/C19H17NO3/c1-12(21)14-9-16(19(23-3)18(10-14)22-2)15-8-13-6-4-5-7-17(13)20-11-15/h4-11H,1-3H3
InChIKeyFGARYHNQBZGXBL-UHFFFAOYSA-N
XLogP4.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone?
The IUPAC name of 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone (CID 110447723) is 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone is COc1cc(C(C)=O)cc(-c2cnc3ccccc3c2)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone?
The InChIKey is FGARYHNQBZGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12(21)14-9-16(19(23-3)18(10-14)22-2)15-8-13-6-4-5-7-17(13)20-11-15/h4-11H,1-3H3.
What are the key properties of 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone?
1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone is sourced from PubChem (CID 110447723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).