4-amino-7-ethoxyquinoline-3-carboxylic acid

C12H12N2O3 — CID 66487246

IUPAC4-amino-7-ethoxyquinoline-3-carboxylic acid
SMILESCCOc1ccc2c(N)c(C(=O)O)cnc2c1
InChIInChI=1S/C12H12N2O3/c1-2-17-7-3-4-8-10(5-7)14-6-9(11(8)13)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyUEXAOVJWBBJDQI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.91
Rot. Bonds3

About 4-amino-7-ethoxyquinoline-3-carboxylic acid

4-amino-7-ethoxyquinoline-3-carboxylic acid (PubChem CID 66487246) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-amino-7-ethoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-ethoxyquinoline-3-carboxylic acid
PubChem CID66487246
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-amino-7-ethoxyquinoline-3-carboxylic acid
SMILESCCOc1ccc2c(N)c(C(=O)O)cnc2c1
InChIInChI=1S/C12H12N2O3/c1-2-17-7-3-4-8-10(5-7)14-6-9(11(8)13)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyUEXAOVJWBBJDQI-UHFFFAOYSA-N
XLogP1.91
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-7-ethoxyquinoline-3-carbohydrazide
CID 66487236
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
1-(2-amino-5-ethoxyphenyl)butan-1-one
CID 83987893
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
2-amino-5-propoxybenzoic acid
CID 12719187
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-7-ethoxyquinoline-3-carboxylic acid (CID 66487246) is 4-amino-7-ethoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-7-ethoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-7-ethoxyquinoline-3-carboxylic acid is CCOc1ccc2c(N)c(C(=O)O)cnc2c1.
What is the InChIKey of 4-amino-7-ethoxyquinoline-3-carboxylic acid?
The InChIKey is UEXAOVJWBBJDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-7-3-4-8-10(5-7)14-6-9(11(8)13)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-7-ethoxyquinoline-3-carboxylic acid?
4-amino-7-ethoxyquinoline-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 66487246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).