(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one

C17H18N2O3 — CID 68779596

IUPAC(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESCCOc1ccccc1-c1ccc2c(c1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C17H18N2O3/c1-2-22-16-6-4-3-5-13(16)11-7-8-15-12(9-11)10-14(18)17(20)19(15)21/h3-9,14,21H,2,10,18H2,1H3/t14-/m0/s1
InChIKeyFFGRBJLHZFBRFX-AWEZNQCLSA-N
MW298.34 g/mol
LogP2.36
Rot. Bonds3

About (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 68779596) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID68779596
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESCCOc1ccccc1-c1ccc2c(c1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C17H18N2O3/c1-2-22-16-6-4-3-5-13(16)11-7-8-15-12(9-11)10-14(18)17(20)19(15)21/h3-9,14,21H,2,10,18H2,1H3/t14-/m0/s1
InChIKeyFFGRBJLHZFBRFX-AWEZNQCLSA-N
XLogP2.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one
CID 59627149
(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one
CID 68782293
4-(2-ethoxyphenyl)phenol
CID 83129672
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
3-amino-6-[(5-fluoro-2-pyridinyl)oxy]-1-hydroxy-3,4-dihydroquinolin-2-one
CID 68783665
1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
CID 143206525
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
4-[2-(aminomethyl)-4-(2-ethoxyphenyl)phenyl]-3-ethylpiperazine-1-carboxylic acid
CID 170325231
(3S)-3-amino-6-[(3,5-difluoro-N-methylanilino)methyl]-1-hydroxy-3,4-dihydroquinolin-2-one
CID 68782888
4-[2-(aminomethyl)-4-(2-ethoxyphenyl)phenyl]-3-ethylpiperazine-1-carbaldehyde
CID 170576612
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one (CID 68779596) is (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one is CCOc1ccccc1-c1ccc2c(c1)C[C@H](N)C(=O)N2O.
What is the InChIKey of (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is FFGRBJLHZFBRFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-16-6-4-3-5-13(16)11-7-8-15-12(9-11)10-14(18)17(20)19(15)21/h3-9,14,21H,2,10,18H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 298.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(2-ethoxyphenyl)-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68779596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).