6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one

C16H16FN3O — CID 62465982

IUPAC6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
SMILESCNc1ncccc1CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C16H16FN3O/c1-18-16-12(3-2-8-19-16)10-20-14-6-5-13(17)9-11(14)4-7-15(20)21/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,18,19)
InChIKeyCHSWSEQQNASTIG-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.74
Rot. Bonds3

About 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one

6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 62465982) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID62465982
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
SMILESCNc1ncccc1CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C16H16FN3O/c1-18-16-12(3-2-8-19-16)10-20-14-6-5-13(17)9-11(14)4-7-15(20)21/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,18,19)
InChIKeyCHSWSEQQNASTIG-UHFFFAOYSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one (CID 62465982) is 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one is CNc1ncccc1CN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is CHSWSEQQNASTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-18-16-12(3-2-8-19-16)10-20-14-6-5-13(17)9-11(14)4-7-15(20)21/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,18,19).
What are the key properties of 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[[2-(methylamino)-3-pyridinyl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 62465982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).