1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C17H17NO3 — CID 25028123

IUPAC1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21
InChIInChI=1S/C17H17NO3/c1-11(19)18-10-14(12-2-5-15(20)6-3-12)8-13-4-7-16(21)9-17(13)18/h2-7,9,14,20-21H,8,10H2,1H3
InChIKeyMMAQLJQOBLDUJY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.79
Rot. Bonds1

About 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 25028123) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID25028123
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21
InChIInChI=1S/C17H17NO3/c1-11(19)18-10-14(12-2-5-15(20)6-3-12)8-13-4-7-16(21)9-17(13)18/h2-7,9,14,20-21H,8,10H2,1H3
InChIKeyMMAQLJQOBLDUJY-UHFFFAOYSA-N
XLogP2.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 25028123) is 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21.
What is the InChIKey of 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is MMAQLJQOBLDUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(19)18-10-14(12-2-5-15(20)6-3-12)8-13-4-7-16(21)9-17(13)18/h2-7,9,14,20-21H,8,10H2,1H3.
What are the key properties of 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 283.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 25028123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).