1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid

C14H13NO2 — CID 118947537

IUPAC1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid
SMILESO=C(O)C1CNc2c(ccc3ccccc23)C1
InChIInChI=1S/C14H13NO2/c16-14(17)11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-8-11/h1-6,11,15H,7-8H2,(H,16,17)
InChIKeyPPRNGTZFBYNBKT-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.51
Rot. Bonds1

About 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid

1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid (PubChem CID 118947537) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid
PubChem CID118947537
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid
SMILESO=C(O)C1CNc2c(ccc3ccccc23)C1
InChIInChI=1S/C14H13NO2/c16-14(17)11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-8-11/h1-6,11,15H,7-8H2,(H,16,17)
InChIKeyPPRNGTZFBYNBKT-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid (CID 118947537) is 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid is O=C(O)C1CNc2c(ccc3ccccc23)C1.
What is the InChIKey of 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid?
The InChIKey is PPRNGTZFBYNBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-8-11/h1-6,11,15H,7-8H2,(H,16,17).
What are the key properties of 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid?
1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrobenzo[h]quinoline-3-carboxylic acid is sourced from PubChem (CID 118947537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).