4-(1-methoxyethyl)quinoline-3-carboxylic acid

C13H13NO3 — CID 135324304

IUPAC4-(1-methoxyethyl)quinoline-3-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H13NO3/c1-8(17-2)12-9-5-3-4-6-11(9)14-7-10(12)13(15)16/h3-8H,1-2H3,(H,15,16)
InChIKeyKCJUMRDSKMQJEA-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.64
Rot. Bonds3

About 4-(1-methoxyethyl)quinoline-3-carboxylic acid

4-(1-methoxyethyl)quinoline-3-carboxylic acid (PubChem CID 135324304) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(1-methoxyethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxyethyl)quinoline-3-carboxylic acid
PubChem CID135324304
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(1-methoxyethyl)quinoline-3-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H13NO3/c1-8(17-2)12-9-5-3-4-6-11(9)14-7-10(12)13(15)16/h3-8H,1-2H3,(H,15,16)
InChIKeyKCJUMRDSKMQJEA-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid
CID 105489171
4-(3-hydroxybutan-2-ylsulfanyl)quinoline-3-carboxylic acid
CID 107770192
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-pentoxyquinoline-3-carboxylic acid
CID 61339358
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-(3-methoxypropylsulfanyl)quinoline-3-carboxylic acid
CID 63858059

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-(1-methoxyethyl)quinoline-3-carboxylic acid (CID 135324304) is 4-(1-methoxyethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(1-methoxyethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(1-methoxyethyl)quinoline-3-carboxylic acid is COC(C)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-(1-methoxyethyl)quinoline-3-carboxylic acid?
The InChIKey is KCJUMRDSKMQJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(17-2)12-9-5-3-4-6-11(9)14-7-10(12)13(15)16/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4-(1-methoxyethyl)quinoline-3-carboxylic acid?
4-(1-methoxyethyl)quinoline-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 135324304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).