4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid

C16H20N2O3 — CID 106350345

IUPAC4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid
SMILESCC(C)C(CCO)Nc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-10(2)12(7-8-19)17-14-9-15(16(20)21)18-13-6-4-3-5-11(13)14/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyHNNUYFKTDNQIIJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.75
Rot. Bonds6

About 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid

4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid (PubChem CID 106350345) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid
PubChem CID106350345
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid
SMILESCC(C)C(CCO)Nc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-10(2)12(7-8-19)17-14-9-15(16(20)21)18-13-6-4-3-5-11(13)14/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyHNNUYFKTDNQIIJ-UHFFFAOYSA-N
XLogP2.75
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid (CID 106350345) is 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid is CC(C)C(CCO)Nc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid?
The InChIKey is HNNUYFKTDNQIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)12(7-8-19)17-14-9-15(16(20)21)18-13-6-4-3-5-11(13)14/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid?
4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 106350345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).