6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one

C16H15FN2O — CID 170748582

IUPAC6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one
SMILESNc1cc(F)c2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H15FN2O/c17-14-9-13(18)8-12-6-7-15(20)19(16(12)14)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,18H2
InChIKeyRMBMMBDYEGLWLC-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.89
Rot. Bonds2

About 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one

6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 170748582) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one
PubChem CID170748582
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one
SMILESNc1cc(F)c2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H15FN2O/c17-14-9-13(18)8-12-6-7-15(20)19(16(12)14)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,18H2
InChIKeyRMBMMBDYEGLWLC-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one (CID 170748582) is 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one is Nc1cc(F)c2c(c1)CCC(=O)N2Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is RMBMMBDYEGLWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-9-13(18)8-12-6-7-15(20)19(16(12)14)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,18H2.
What are the key properties of 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one?
6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170748582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).