9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one

C20H18FNO4 — CID 155351590

IUPAC9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCOc1ccc2c(c1)C(c1cccc(F)c1)C1=C(COC1=O)N2CCO
InChIInChI=1S/C20H18FNO4/c1-25-14-5-6-16-15(10-14)18(12-3-2-4-13(21)9-12)19-17(11-26-20(19)24)22(16)7-8-23/h2-6,9-10,18,23H,7-8,11H2,1H3
InChIKeyOCGNXVCEBZEWKS-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.59
Rot. Bonds4

About 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one

9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one (PubChem CID 155351590) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one
PubChem CID155351590
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCOc1ccc2c(c1)C(c1cccc(F)c1)C1=C(COC1=O)N2CCO
InChIInChI=1S/C20H18FNO4/c1-25-14-5-6-16-15(10-14)18(12-3-2-4-13(21)9-12)19-17(11-26-20(19)24)22(16)7-8-23/h2-6,9-10,18,23H,7-8,11H2,1H3
InChIKeyOCGNXVCEBZEWKS-UHFFFAOYSA-N
XLogP2.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The IUPAC name of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one (CID 155351590) is 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The canonical SMILES for 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one is COc1ccc2c(c1)C(c1cccc(F)c1)C1=C(COC1=O)N2CCO.
What is the InChIKey of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The InChIKey is OCGNXVCEBZEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-25-14-5-6-16-15(10-14)18(12-3-2-4-13(21)9-12)19-17(11-26-20(19)24)22(16)7-8-23/h2-6,9-10,18,23H,7-8,11H2,1H3.
What are the key properties of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one?
9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one has a molecular weight of 355.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one is sourced from PubChem (CID 155351590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).