6-amino-2-ethylquinoline-3-carboxylic acid

C12H12N2O2 — CID 158317833

IUPAC6-amino-2-ethylquinoline-3-carboxylic acid
SMILESCCc1nc2ccc(N)cc2cc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-2-10-9(12(15)16)6-7-5-8(13)3-4-11(7)14-10/h3-6H,2,13H2,1H3,(H,15,16)
InChIKeyGOMFKYLHRCHLEU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.08
Rot. Bonds2

About 6-amino-2-ethylquinoline-3-carboxylic acid

6-amino-2-ethylquinoline-3-carboxylic acid (PubChem CID 158317833) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-amino-2-ethylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-ethylquinoline-3-carboxylic acid
PubChem CID158317833
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-amino-2-ethylquinoline-3-carboxylic acid
SMILESCCc1nc2ccc(N)cc2cc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-2-10-9(12(15)16)6-7-5-8(13)3-4-11(7)14-10/h3-6H,2,13H2,1H3,(H,15,16)
InChIKeyGOMFKYLHRCHLEU-UHFFFAOYSA-N
XLogP2.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-ethylpyridine-3-carboxylic acid
CID 84652342
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid
CID 155306258
1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 90775639
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
4-amino-2-hexadecylbenzoic acid
CID 167455079
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
cesium 5-amino-2-carboxyphenolate
CID 23674816
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
4-amino-2-(1-aminopropyl)benzoic acid
CID 130001366
5-amino-2-(3-aminoprop-1-enyl)benzoic acid
CID 169463944

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethylquinoline-3-carboxylic acid?
The IUPAC name of 6-amino-2-ethylquinoline-3-carboxylic acid (CID 158317833) is 6-amino-2-ethylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-ethylquinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-2-ethylquinoline-3-carboxylic acid is CCc1nc2ccc(N)cc2cc1C(=O)O.
What is the InChIKey of 6-amino-2-ethylquinoline-3-carboxylic acid?
The InChIKey is GOMFKYLHRCHLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-10-9(12(15)16)6-7-5-8(13)3-4-11(7)14-10/h3-6H,2,13H2,1H3,(H,15,16).
What are the key properties of 6-amino-2-ethylquinoline-3-carboxylic acid?
6-amino-2-ethylquinoline-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethylquinoline-3-carboxylic acid is sourced from PubChem (CID 158317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).