4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid

C19H26N2O3 — CID 71815973

IUPAC4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid
SMILESCCCC(CCC)COc1cccc2nc(C)c(C(=O)O)c(N)c12
InChIInChI=1S/C19H26N2O3/c1-4-7-13(8-5-2)11-24-15-10-6-9-14-17(15)18(20)16(19(22)23)12(3)21-14/h6,9-10,13H,4-5,7-8,11H2,1-3H3,(H2,20,21)(H,22,23)
InChIKeyWSEMFCWIPKTYNC-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.42
Rot. Bonds8

About 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid

4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid (PubChem CID 71815973) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid
PubChem CID71815973
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid
SMILESCCCC(CCC)COc1cccc2nc(C)c(C(=O)O)c(N)c12
InChIInChI=1S/C19H26N2O3/c1-4-7-13(8-5-2)11-24-15-10-6-9-14-17(15)18(20)16(19(22)23)12(3)21-14/h6,9-10,13H,4-5,7-8,11H2,1-3H3,(H2,20,21)(H,22,23)
InChIKeyWSEMFCWIPKTYNC-UHFFFAOYSA-N
XLogP4.42
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid (CID 71815973) is 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid is CCCC(CCC)COc1cccc2nc(C)c(C(=O)O)c(N)c12.
What is the InChIKey of 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid?
The InChIKey is WSEMFCWIPKTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-7-13(8-5-2)11-24-15-10-6-9-14-17(15)18(20)16(19(22)23)12(3)21-14/h6,9-10,13H,4-5,7-8,11H2,1-3H3,(H2,20,21)(H,22,23).
What are the key properties of 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid?
4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid is sourced from PubChem (CID 71815973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).