2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid

C15H13NO3 — CID 116533758

IUPAC2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CC1)-c1ccoc1CC2
InChIInChI=1S/C15H13NO3/c17-15(18)11-7-9-3-4-12-10(5-6-19-12)14(9)16-13(11)8-1-2-8/h5-8H,1-4H2,(H,17,18)
InChIKeyAPDMKSHAADVBMH-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.02
Rot. Bonds2

About 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid

2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid (PubChem CID 116533758) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
PubChem CID116533758
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CC1)-c1ccoc1CC2
InChIInChI=1S/C15H13NO3/c17-15(18)11-7-9-3-4-12-10(5-6-19-12)14(9)16-13(11)8-1-2-8/h5-8H,1-4H2,(H,17,18)
InChIKeyAPDMKSHAADVBMH-UHFFFAOYSA-N
XLogP3.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid (CID 116533758) is 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid is O=C(O)c1cc2c(nc1C1CC1)-c1ccoc1CC2.
What is the InChIKey of 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid?
The InChIKey is APDMKSHAADVBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(18)11-7-9-3-4-12-10(5-6-19-12)14(9)16-13(11)8-1-2-8/h5-8H,1-4H2,(H,17,18).
What are the key properties of 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid?
2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid is sourced from PubChem (CID 116533758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).