(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine

C9H12N2O — CID 56971695

IUPAC(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
SMILESN[C@H]1Cc2ccccc2N(O)C1
InChIInChI=1S/C9H12N2O/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-4,8,12H,5-6,10H2/t8-/m0/s1
InChIKeyKOVJVYABLVJYRF-QMMMGPOBSA-N
MW164.21 g/mol
LogP0.77
Rot. Bonds

About (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine

(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 56971695) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
PubChem CID56971695
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
SMILESN[C@H]1Cc2ccccc2N(O)C1
InChIInChI=1S/C9H12N2O/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-4,8,12H,5-6,10H2/t8-/m0/s1
InChIKeyKOVJVYABLVJYRF-QMMMGPOBSA-N
XLogP0.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine (CID 56971695) is (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine is N[C@H]1Cc2ccccc2N(O)C1.
What is the InChIKey of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is KOVJVYABLVJYRF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-4,8,12H,5-6,10H2/t8-/m0/s1.
What are the key properties of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 56971695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).