7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

C10H11NO3 — CID 171080337

IUPAC7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILESO=C(O)c1cc2c(cc1O)NCCC2
InChIInChI=1S/C10H11NO3/c12-9-5-8-6(2-1-3-11-8)4-7(9)10(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyBMPAPPDTHVJVMH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.45
Rot. Bonds1

About 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid (PubChem CID 171080337) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
PubChem CID171080337
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILESO=C(O)c1cc2c(cc1O)NCCC2
InChIInChI=1S/C10H11NO3/c12-9-5-8-6(2-1-3-11-8)4-7(9)10(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyBMPAPPDTHVJVMH-UHFFFAOYSA-N
XLogP1.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 117110479
1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
CID 67909917
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394
5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 71756595
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 67893760
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The IUPAC name of 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid (CID 171080337) is 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The canonical SMILES for 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid is O=C(O)c1cc2c(cc1O)NCCC2.
What is the InChIKey of 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The InChIKey is BMPAPPDTHVJVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-5-8-6(2-1-3-11-8)4-7(9)10(13)14/h4-5,11-12H,1-3H2,(H,13,14).
What are the key properties of 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid is sourced from PubChem (CID 171080337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).