10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid

C16H12FNO5 — CID 71083428

IUPAC10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
SMILESO=C(O)C1Nc2cc(O)cc(O)c2C2c3cc(F)ccc3OC12
InChIInChI=1S/C16H12FNO5/c17-6-1-2-11-8(3-6)12-13-9(4-7(19)5-10(13)20)18-14(16(21)22)15(12)23-11/h1-5,12,14-15,18-20H,(H,21,22)
InChIKeyQRGCATJAFJBLKP-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.01
Rot. Bonds1

About 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid

10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid (PubChem CID 71083428) has the molecular formula C16H12FNO5 and a molecular weight of 317.27 g/mol. Its IUPAC name is 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
PubChem CID71083428
Molecular FormulaC16H12FNO5
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
SMILESO=C(O)C1Nc2cc(O)cc(O)c2C2c3cc(F)ccc3OC12
InChIInChI=1S/C16H12FNO5/c17-6-1-2-11-8(3-6)12-13-9(4-7(19)5-10(13)20)18-14(16(21)22)15(12)23-11/h1-5,12,14-15,18-20H,(H,21,22)
InChIKeyQRGCATJAFJBLKP-UHFFFAOYSA-N
XLogP2.01
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
The IUPAC name of 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid (CID 71083428) is 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid.
What is the SMILES notation for 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
The canonical SMILES for 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid is O=C(O)C1Nc2cc(O)cc(O)c2C2c3cc(F)ccc3OC12.
What is the InChIKey of 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
The InChIKey is QRGCATJAFJBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO5/c17-6-1-2-11-8(3-6)12-13-9(4-7(19)5-10(13)20)18-14(16(21)22)15(12)23-11/h1-5,12,14-15,18-20H,(H,21,22).
What are the key properties of 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid has a molecular weight of 317.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-1,3-dihydroxy-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 71083428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).