1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid

C16H10Cl3NO3 — CID 10156033

IUPAC1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
SMILESO=C(O)C1Nc2cc(Cl)cc(Cl)c2C2c3cccc(Cl)c3OC12
InChIInChI=1S/C16H10Cl3NO3/c17-6-4-9(19)12-10(5-6)20-13(16(21)22)15-11(12)7-2-1-3-8(18)14(7)23-15/h1-5,11,13,15,20H,(H,21,22)
InChIKeyWUJRLVRWRBPUER-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.42
Rot. Bonds1

About 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid

1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid (PubChem CID 10156033) has the molecular formula C16H10Cl3NO3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
PubChem CID10156033
Molecular FormulaC16H10Cl3NO3
Molecular Weight370.62 g/mol
Exact Mass368.97
IUPAC Name1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
SMILESO=C(O)C1Nc2cc(Cl)cc(Cl)c2C2c3cccc(Cl)c3OC12
InChIInChI=1S/C16H10Cl3NO3/c17-6-4-9(19)12-10(5-6)20-13(16(21)22)15-11(12)7-2-1-3-8(18)14(7)23-15/h1-5,11,13,15,20H,(H,21,22)
InChIKeyWUJRLVRWRBPUER-UHFFFAOYSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
The IUPAC name of 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid (CID 10156033) is 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid.
What is the SMILES notation for 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
The canonical SMILES for 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid is O=C(O)C1Nc2cc(Cl)cc(Cl)c2C2c3cccc(Cl)c3OC12.
What is the InChIKey of 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
The InChIKey is WUJRLVRWRBPUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO3/c17-6-4-9(19)12-10(5-6)20-13(16(21)22)15-11(12)7-2-1-3-8(18)14(7)23-15/h1-5,11,13,15,20H,(H,21,22).
What are the key properties of 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid?
1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid has a molecular weight of 370.62 g/mol, XLogP of 4.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 10156033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).