4-amino-2-ethyl-1H-quinoline-2-carboxylic acid

C12H14N2O2 — CID 66747501

IUPAC4-amino-2-ethyl-1H-quinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)C=C(N)c2ccccc2N1
InChIInChI=1S/C12H14N2O2/c1-2-12(11(15)16)7-9(13)8-5-3-4-6-10(8)14-12/h3-7,14H,2,13H2,1H3,(H,15,16)
InChIKeySILZGESTUZONFC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.65
Rot. Bonds2

About 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid

4-amino-2-ethyl-1H-quinoline-2-carboxylic acid (PubChem CID 66747501) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-ethyl-1H-quinoline-2-carboxylic acid
PubChem CID66747501
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-amino-2-ethyl-1H-quinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)C=C(N)c2ccccc2N1
InChIInChI=1S/C12H14N2O2/c1-2-12(11(15)16)7-9(13)8-5-3-4-6-10(8)14-12/h3-7,14H,2,13H2,1H3,(H,15,16)
InChIKeySILZGESTUZONFC-UHFFFAOYSA-N
XLogP1.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid (CID 66747501) is 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid is CCC1(C(=O)O)C=C(N)c2ccccc2N1.
What is the InChIKey of 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid?
The InChIKey is SILZGESTUZONFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-12(11(15)16)7-9(13)8-5-3-4-6-10(8)14-12/h3-7,14H,2,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid?
4-amino-2-ethyl-1H-quinoline-2-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 66747501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).