5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H17FN2O — CID 81108124

IUPAC5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1ccc(F)cc1NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H17FN2O/c1-10-5-6-11(17)9-15(10)18-13-3-2-4-14-12(13)7-8-16(20)19-14/h5-9,13,18H,2-4H2,1H3,(H,19,20)
InChIKeyNWYYMDSSAHZLGV-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.31
Rot. Bonds2

About 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108124) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108124
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1ccc(F)cc1NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H17FN2O/c1-10-5-6-11(17)9-15(10)18-13-3-2-4-14-12(13)7-8-16(20)19-14/h5-9,13,18H,2-4H2,1H3,(H,19,20)
InChIKeyNWYYMDSSAHZLGV-UHFFFAOYSA-N
XLogP3.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108124) is 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1ccc(F)cc1NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is NWYYMDSSAHZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-5-6-11(17)9-15(10)18-13-3-2-4-14-12(13)7-8-16(20)19-14/h5-9,13,18H,2-4H2,1H3,(H,19,20).
What are the key properties of 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 272.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).