quinoline-3,5,6,7,8-pentacarboxylic acid

C14H7NO10 — CID 22158723

IUPACquinoline-3,5,6,7,8-pentacarboxylic acid
SMILESO=C(O)c1cnc2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1
InChIInChI=1S/C14H7NO10/c16-10(17)3-1-4-5(11(18)19)6(12(20)21)7(13(22)23)8(14(24)25)9(4)15-2-3/h1-2H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyTVLXLOWMMDPMRD-UHFFFAOYSA-N
MW349.21 g/mol
LogP0.73
Rot. Bonds5

About quinoline-3,5,6,7,8-pentacarboxylic acid

quinoline-3,5,6,7,8-pentacarboxylic acid (PubChem CID 22158723) has the molecular formula C14H7NO10 and a molecular weight of 349.21 g/mol. Its IUPAC name is quinoline-3,5,6,7,8-pentacarboxylic acid.

Molecular Properties

Compound Namequinoline-3,5,6,7,8-pentacarboxylic acid
PubChem CID22158723
Molecular FormulaC14H7NO10
Molecular Weight349.21 g/mol
Exact Mass349.01
IUPAC Namequinoline-3,5,6,7,8-pentacarboxylic acid
SMILESO=C(O)c1cnc2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1
InChIInChI=1S/C14H7NO10/c16-10(17)3-1-4-5(11(18)19)6(12(20)21)7(13(22)23)8(14(24)25)9(4)15-2-3/h1-2H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyTVLXLOWMMDPMRD-UHFFFAOYSA-N
XLogP0.73
TPSA199.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of quinoline-3,5,6,7,8-pentacarboxylic acid?
The IUPAC name of quinoline-3,5,6,7,8-pentacarboxylic acid (CID 22158723) is quinoline-3,5,6,7,8-pentacarboxylic acid.
What is the SMILES notation for quinoline-3,5,6,7,8-pentacarboxylic acid?
The canonical SMILES for quinoline-3,5,6,7,8-pentacarboxylic acid is O=C(O)c1cnc2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1.
What is the InChIKey of quinoline-3,5,6,7,8-pentacarboxylic acid?
The InChIKey is TVLXLOWMMDPMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7NO10/c16-10(17)3-1-4-5(11(18)19)6(12(20)21)7(13(22)23)8(14(24)25)9(4)15-2-3/h1-2H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of quinoline-3,5,6,7,8-pentacarboxylic acid?
quinoline-3,5,6,7,8-pentacarboxylic acid has a molecular weight of 349.21 g/mol, XLogP of 0.73, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-3,5,6,7,8-pentacarboxylic acid is sourced from PubChem (CID 22158723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).