2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate

C19H19N3O2 — CID 162528221

IUPAC2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate
SMILESCC(C)COC(=O)c1cccc(-c2ccc3nccc(N)c3c2)n1
InChIInChI=1S/C19H19N3O2/c1-12(2)11-24-19(23)18-5-3-4-16(22-18)13-6-7-17-14(10-13)15(20)8-9-21-17/h3-10,12H,11H2,1-2H3,(H2,20,21)
InChIKeyBEWOEWVJBSCXRT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.69
Rot. Bonds4

About 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate

2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate (PubChem CID 162528221) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate
PubChem CID162528221
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate
SMILESCC(C)COC(=O)c1cccc(-c2ccc3nccc(N)c3c2)n1
InChIInChI=1S/C19H19N3O2/c1-12(2)11-24-19(23)18-5-3-4-16(22-18)13-6-7-17-14(10-13)15(20)8-9-21-17/h3-10,12H,11H2,1-2H3,(H2,20,21)
InChIKeyBEWOEWVJBSCXRT-UHFFFAOYSA-N
XLogP3.69
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate?
The IUPAC name of 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate (CID 162528221) is 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate is CC(C)COC(=O)c1cccc(-c2ccc3nccc(N)c3c2)n1.
What is the InChIKey of 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate?
The InChIKey is BEWOEWVJBSCXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)11-24-19(23)18-5-3-4-16(22-18)13-6-7-17-14(10-13)15(20)8-9-21-17/h3-10,12H,11H2,1-2H3,(H2,20,21).
What are the key properties of 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate?
2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 162528221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).