6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C16H13ClFNO — CID 126587601

IUPAC6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Cl)c2Cc2ccc(F)cc2)N1
InChIInChI=1S/C16H13ClFNO/c17-14-6-7-15-12(5-8-16(20)19-15)13(14)9-10-1-3-11(18)4-2-10/h1-4,6-7H,5,8-9H2,(H,19,20)
InChIKeyXRGKBEVRGOMIBY-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.95
Rot. Bonds2

About 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587601) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587601
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Cl)c2Cc2ccc(F)cc2)N1
InChIInChI=1S/C16H13ClFNO/c17-14-6-7-15-12(5-8-16(20)19-15)13(14)9-10-1-3-11(18)4-2-10/h1-4,6-7H,5,8-9H2,(H,19,20)
InChIKeyXRGKBEVRGOMIBY-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 126587601) is 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(ccc(Cl)c2Cc2ccc(F)cc2)N1.
What is the InChIKey of 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XRGKBEVRGOMIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-14-6-7-15-12(5-8-16(20)19-15)13(14)9-10-1-3-11(18)4-2-10/h1-4,6-7H,5,8-9H2,(H,19,20).
What are the key properties of 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).