3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid

C20H16N2O4 — CID 68939353

IUPAC3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
SMILESO=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(O)c4)cc3c12
InChIInChI=1S/C20H16N2O4/c23-14-3-1-2-11(8-14)12-4-6-16-15(9-12)18-13(5-7-17(24)25)10-21-19(18)20(26)22-16/h1-4,6,8-10,21,23H,5,7H2,(H,22,26)(H,24,25)
InChIKeySJDCIZQIWSGYDC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.40
Rot. Bonds4

About 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid

3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid (PubChem CID 68939353) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
PubChem CID68939353
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
SMILESO=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(O)c4)cc3c12
InChIInChI=1S/C20H16N2O4/c23-14-3-1-2-11(8-14)12-4-6-16-15(9-12)18-13(5-7-17(24)25)10-21-19(18)20(26)22-16/h1-4,6,8-10,21,23H,5,7H2,(H,22,26)(H,24,25)
InChIKeySJDCIZQIWSGYDC-UHFFFAOYSA-N
XLogP3.40
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
The IUPAC name of 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid (CID 68939353) is 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid.
What is the SMILES notation for 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
The canonical SMILES for 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid is O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(O)c4)cc3c12.
What is the InChIKey of 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
The InChIKey is SJDCIZQIWSGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-14-3-1-2-11(8-14)12-4-6-16-15(9-12)18-13(5-7-17(24)25)10-21-19(18)20(26)22-16/h1-4,6,8-10,21,23H,5,7H2,(H,22,26)(H,24,25).
What are the key properties of 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid has a molecular weight of 348.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid is sourced from PubChem (CID 68939353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).