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

C17H16FNO3 — CID 2939802

IUPAC4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C17H16FNO3/c1-21-15-7-13-12(10-4-3-5-11(18)6-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20)
InChIKeyTXHKVDZTLFAROK-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.32
Rot. Bonds3

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

4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2939802) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2939802
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C17H16FNO3/c1-21-15-7-13-12(10-4-3-5-11(18)6-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20)
InChIKeyTXHKVDZTLFAROK-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2939802) is 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TXHKVDZTLFAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-15-7-13-12(10-4-3-5-11(18)6-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2939802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).