4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid

C13H17NO4 — CID 18704922

IUPAC4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid
SMILESCCC1(O)CCN(C(=O)O)c2cc(OC)ccc21
InChIInChI=1S/C13H17NO4/c1-3-13(17)6-7-14(12(15)16)11-8-9(18-2)4-5-10(11)13/h4-5,8,17H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyGPLZXBHVNYDEKX-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.18
Rot. Bonds2

About 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid

4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid (PubChem CID 18704922) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid
PubChem CID18704922
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid
SMILESCCC1(O)CCN(C(=O)O)c2cc(OC)ccc21
InChIInChI=1S/C13H17NO4/c1-3-13(17)6-7-14(12(15)16)11-8-9(18-2)4-5-10(11)13/h4-5,8,17H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyGPLZXBHVNYDEKX-UHFFFAOYSA-N
XLogP2.18
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82624628
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2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
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CID 117340088
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
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CID 18180234
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
1-acetyl-5-amino-7-methoxy-3,4-dihydro-2H-1-benzazepine-5-carboxylic acid
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CID 105497580

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid?
The IUPAC name of 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid (CID 18704922) is 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid?
The canonical SMILES for 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid is CCC1(O)CCN(C(=O)O)c2cc(OC)ccc21.
What is the InChIKey of 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid?
The InChIKey is GPLZXBHVNYDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-13(17)6-7-14(12(15)16)11-8-9(18-2)4-5-10(11)13/h4-5,8,17H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid?
4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid is sourced from PubChem (CID 18704922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).