4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid

C21H27N3O4 — CID 66746125

IUPAC4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC3CCN(C(=O)C(C)C)CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C21H27N3O4/c1-12(2)20(25)24-9-7-14(8-10-24)11-28-16-6-4-5-15-18(16)19(22)17(21(26)27)13(3)23-15/h4-6,12,14H,7-11H2,1-3H3,(H2,22,23)(H,26,27)
InChIKeyLIOODINPLOAJIN-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.10
Rot. Bonds5

About 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid

4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid (PubChem CID 66746125) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid
PubChem CID66746125
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC3CCN(C(=O)C(C)C)CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C21H27N3O4/c1-12(2)20(25)24-9-7-14(8-10-24)11-28-16-6-4-5-15-18(16)19(22)17(21(26)27)13(3)23-15/h4-6,12,14H,7-11H2,1-3H3,(H2,22,23)(H,26,27)
InChIKeyLIOODINPLOAJIN-UHFFFAOYSA-N
XLogP3.10
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid (CID 66746125) is 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid is Cc1nc2cccc(OCC3CCN(C(=O)C(C)C)CC3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid?
The InChIKey is LIOODINPLOAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-12(2)20(25)24-9-7-14(8-10-24)11-28-16-6-4-5-15-18(16)19(22)17(21(26)27)13(3)23-15/h4-6,12,14H,7-11H2,1-3H3,(H2,22,23)(H,26,27).
What are the key properties of 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid?
4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid has a molecular weight of 385.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 66746125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).