7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

C11H13NO3 — CID 83833649

IUPAC7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCN1CCC(C(=O)O)c2ccc(O)cc21
InChIInChI=1S/C11H13NO3/c1-12-5-4-9(11(14)15)8-3-2-7(13)6-10(8)12/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeySQIQDVSIPTXHRE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.40
Rot. Bonds1

About 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 83833649) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID83833649
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCN1CCC(C(=O)O)c2ccc(O)cc21
InChIInChI=1S/C11H13NO3/c1-12-5-4-9(11(14)15)8-3-2-7(13)6-10(8)12/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeySQIQDVSIPTXHRE-UHFFFAOYSA-N
XLogP1.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 83838175
methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903361
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
1-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625986
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
8-chloro-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625518
1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 114819137
7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83763781
2-methyl-1,3,4,5-tetrahydro-2-benzazepine-5-carboxylic acid
CID 130118823
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691103
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 83833649) is 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is CN1CCC(C(=O)O)c2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is SQIQDVSIPTXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-5-4-9(11(14)15)8-3-2-7(13)6-10(8)12/h2-3,6,9,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 83833649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).