(4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid

C11H12N2O2 — CID 156826786

IUPAC(4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid
SMILESC[C@]1(C(=O)O)C=CN=C2C(N)=CC=CC21
InChIInChI=1S/C11H12N2O2/c1-11(10(14)15)5-6-13-9-7(11)3-2-4-8(9)12/h2-7H,12H2,1H3,(H,14,15)/t7?,11-/m0/s1
InChIKeyZCONCWIUUSBUMV-QRIDDKLISA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds1

About (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid

(4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid (PubChem CID 156826786) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid
PubChem CID156826786
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid
SMILESC[C@]1(C(=O)O)C=CN=C2C(N)=CC=CC21
InChIInChI=1S/C11H12N2O2/c1-11(10(14)15)5-6-13-9-7(11)3-2-4-8(9)12/h2-7H,12H2,1H3,(H,14,15)/t7?,11-/m0/s1
InChIKeyZCONCWIUUSBUMV-QRIDDKLISA-N
XLogP1.07
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid?
The IUPAC name of (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid (CID 156826786) is (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid is C[C@]1(C(=O)O)C=CN=C2C(N)=CC=CC21.
What is the InChIKey of (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid?
The InChIKey is ZCONCWIUUSBUMV-QRIDDKLISA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(10(14)15)5-6-13-9-7(11)3-2-4-8(9)12/h2-7H,12H2,1H3,(H,14,15)/t7?,11-/m0/s1.
What are the key properties of (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid?
(4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-amino-4-methyl-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 156826786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).