2,3-dihydroquinoline-5-carboxylic acid

C10H9NO2 — CID 150637150

IUPAC2,3-dihydroquinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1=CCCN=2
InChIInChI=1S/C10H9NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3-5H,2,6H2,(H,12,13)
InChIKeyIZDBKUGSJYEDKY-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.19
Rot. Bonds1

About 2,3-dihydroquinoline-5-carboxylic acid

2,3-dihydroquinoline-5-carboxylic acid (PubChem CID 150637150) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2,3-dihydroquinoline-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroquinoline-5-carboxylic acid
PubChem CID150637150
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2,3-dihydroquinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1=CCCN=2
InChIInChI=1S/C10H9NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3-5H,2,6H2,(H,12,13)
InChIKeyIZDBKUGSJYEDKY-UHFFFAOYSA-N
XLogP0.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroquinoline-5-carboxylic acid?
The IUPAC name of 2,3-dihydroquinoline-5-carboxylic acid (CID 150637150) is 2,3-dihydroquinoline-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydroquinoline-5-carboxylic acid?
The canonical SMILES for 2,3-dihydroquinoline-5-carboxylic acid is O=C(O)c1cccc2c1=CCCN=2.
What is the InChIKey of 2,3-dihydroquinoline-5-carboxylic acid?
The InChIKey is IZDBKUGSJYEDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3-5H,2,6H2,(H,12,13).
What are the key properties of 2,3-dihydroquinoline-5-carboxylic acid?
2,3-dihydroquinoline-5-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroquinoline-5-carboxylic acid is sourced from PubChem (CID 150637150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).