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

C17H15NO2 — CID 116533648

IUPAC2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CC1)-c1ccccc1CC2
InChIInChI=1S/C17H15NO2/c19-17(20)14-9-12-8-5-10-3-1-2-4-13(10)16(12)18-15(14)11-6-7-11/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyOCXREHCSMXAMGH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.42
Rot. Bonds2

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

2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid (PubChem CID 116533648) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
PubChem CID116533648
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CC1)-c1ccccc1CC2
InChIInChI=1S/C17H15NO2/c19-17(20)14-9-12-8-5-10-3-1-2-4-13(10)16(12)18-15(14)11-6-7-11/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyOCXREHCSMXAMGH-UHFFFAOYSA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid (CID 116533648) is 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid is O=C(O)c1cc2c(nc1C1CC1)-c1ccccc1CC2.
What is the InChIKey of 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
The InChIKey is OCXREHCSMXAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)14-9-12-8-5-10-3-1-2-4-13(10)16(12)18-15(14)11-6-7-11/h1-4,9,11H,5-8H2,(H,19,20).
What are the key properties of 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid is sourced from PubChem (CID 116533648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).