(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one

C17H19N3O2 — CID 59627149

IUPAC(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one
SMILESCN(Cc1ccc2c(c1)C[C@H](N)C(=O)N2O)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19(14-5-3-2-4-6-14)11-12-7-8-16-13(9-12)10-15(18)17(21)20(16)22/h2-9,15,22H,10-11,18H2,1H3/t15-/m0/s1
InChIKeyRMUJGWPFUMLMKU-HNNXBMFYSA-N
MW297.36 g/mol
LogP1.93
Rot. Bonds3

About (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 59627149) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one
PubChem CID59627149
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one
SMILESCN(Cc1ccc2c(c1)C[C@H](N)C(=O)N2O)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19(14-5-3-2-4-6-14)11-12-7-8-16-13(9-12)10-15(18)17(21)20(16)22/h2-9,15,22H,10-11,18H2,1H3/t15-/m0/s1
InChIKeyRMUJGWPFUMLMKU-HNNXBMFYSA-N
XLogP1.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one (CID 59627149) is (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one is CN(Cc1ccc2c(c1)C[C@H](N)C(=O)N2O)c1ccccc1.
What is the InChIKey of (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is RMUJGWPFUMLMKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19(14-5-3-2-4-6-14)11-12-7-8-16-13(9-12)10-15(18)17(21)20(16)22/h2-9,15,22H,10-11,18H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 59627149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).