1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid

C11H11NO4 — CID 58753408

IUPAC1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c1CCCN2
InChIInChI=1S/C11H11NO4/c13-10(14)7-3-4-8(11(15)16)9-6(7)2-1-5-12-9/h3-4,12H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyKFWICIAIVORJRL-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.44
Rot. Bonds2

About 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid

1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid (PubChem CID 58753408) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
PubChem CID58753408
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c1CCCN2
InChIInChI=1S/C11H11NO4/c13-10(14)7-3-4-8(11(15)16)9-6(7)2-1-5-12-9/h3-4,12H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyKFWICIAIVORJRL-UHFFFAOYSA-N
XLogP1.44
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid (CID 58753408) is 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)c2c1CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid?
The InChIKey is KFWICIAIVORJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10(14)7-3-4-8(11(15)16)9-6(7)2-1-5-12-9/h3-4,12H,1-2,5H2,(H,13,14)(H,15,16).
What are the key properties of 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid?
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid is sourced from PubChem (CID 58753408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).