(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one

C17H17FN2O2 — CID 170702587

IUPAC(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc2c(c1Oc1ccccc1F)N(C)C(=O)[C@H](N)C2
InChIInChI=1S/C17H17FN2O2/c1-10-7-8-11-9-13(19)17(21)20(2)15(11)16(10)22-14-6-4-3-5-12(14)18/h3-8,13H,9,19H2,1-2H3/t13-/m1/s1
InChIKeySHFRZPQNPGGXGF-CYBMUJFWSA-N
MW300.33 g/mol
LogP2.77
Rot. Bonds2

About (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one

(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 170702587) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID170702587
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc2c(c1Oc1ccccc1F)N(C)C(=O)[C@H](N)C2
InChIInChI=1S/C17H17FN2O2/c1-10-7-8-11-9-13(19)17(21)20(2)15(11)16(10)22-14-6-4-3-5-12(14)18/h3-8,13H,9,19H2,1-2H3/t13-/m1/s1
InChIKeySHFRZPQNPGGXGF-CYBMUJFWSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one (CID 170702587) is (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one is Cc1ccc2c(c1Oc1ccccc1F)N(C)C(=O)[C@H](N)C2.
What is the InChIKey of (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is SHFRZPQNPGGXGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-10-7-8-11-9-13(19)17(21)20(2)15(11)16(10)22-14-6-4-3-5-12(14)18/h3-8,13H,9,19H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).