4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C17H16FNO — CID 3149754

IUPAC4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C17H16FNO/c1-10-6-15-14(12-4-3-5-13(18)8-12)9-17(20)19-16(15)7-11(10)2/h3-8,14H,9H2,1-2H3,(H,19,20)
InChIKeyBHTBGORNGVAWEX-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.92
Rot. Bonds1

About 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3149754) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3149754
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C17H16FNO/c1-10-6-15-14(12-4-3-5-13(18)8-12)9-17(20)19-16(15)7-11(10)2/h3-8,14H,9H2,1-2H3,(H,19,20)
InChIKeyBHTBGORNGVAWEX-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 3149754) is 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BHTBGORNGVAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-10-6-15-14(12-4-3-5-13(18)8-12)9-17(20)19-16(15)7-11(10)2/h3-8,14H,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 269.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3149754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).