(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone

C20H22FNO3 — CID 167911977

IUPAC(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone
SMILESCOc1cc2c(cc1OC)N(C(=O)c1ccc(CCF)cc1)CCC2
InChIInChI=1S/C20H22FNO3/c1-24-18-12-16-4-3-11-22(17(16)13-19(18)25-2)20(23)15-7-5-14(6-8-15)9-10-21/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyLHSWLRKSPVAJQW-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.81
Rot. Bonds5

About (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone

(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone (PubChem CID 167911977) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone
PubChem CID167911977
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone
SMILESCOc1cc2c(cc1OC)N(C(=O)c1ccc(CCF)cc1)CCC2
InChIInChI=1S/C20H22FNO3/c1-24-18-12-16-4-3-11-22(17(16)13-19(18)25-2)20(23)15-7-5-14(6-8-15)9-10-21/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyLHSWLRKSPVAJQW-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone (CID 167911977) is (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone is COc1cc2c(cc1OC)N(C(=O)c1ccc(CCF)cc1)CCC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone?
The InChIKey is LHSWLRKSPVAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-18-12-16-4-3-11-22(17(16)13-19(18)25-2)20(23)15-7-5-14(6-8-15)9-10-21/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone?
(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone is sourced from PubChem (CID 167911977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).