2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

C12H15NO3 — CID 83838175

IUPAC2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCN1CCC(CC(=O)O)c2cc(O)ccc21
InChIInChI=1S/C12H15NO3/c1-13-5-4-8(6-12(15)16)10-7-9(14)2-3-11(10)13/h2-3,7-8,14H,4-6H2,1H3,(H,15,16)
InChIKeyJZSJOORIVGYADA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds2

About 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (PubChem CID 83838175) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
PubChem CID83838175
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCN1CCC(CC(=O)O)c2cc(O)ccc21
InChIInChI=1S/C12H15NO3/c1-13-5-4-8(6-12(15)16)10-7-9(14)2-3-11(10)13/h2-3,7-8,14H,4-6H2,1H3,(H,15,16)
InChIKeyJZSJOORIVGYADA-UHFFFAOYSA-N
XLogP1.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
CID 117202469
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83833649
2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276720
2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82626086
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-(8-hydroxy-1,2-dimethyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid
CID 67259148
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82626089
2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid
CID 82623988
(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 82623345
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (CID 83838175) is 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is CN1CCC(CC(=O)O)c2cc(O)ccc21.
What is the InChIKey of 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The InChIKey is JZSJOORIVGYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-5-4-8(6-12(15)16)10-7-9(14)2-3-11(10)13/h2-3,7-8,14H,4-6H2,1H3,(H,15,16).
What are the key properties of 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 83838175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).