(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C22H18FNO4 — CID 93036575

IUPAC(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESC=CCOc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C22H18FNO4/c1-2-10-27-17-8-6-14(7-9-17)18-12-20(25)24(16-5-3-4-15(23)11-16)19-13-28-22(26)21(18)19/h2-9,11,18H,1,10,12-13H2/t18-/m1/s1
InChIKeyIXLQCQOILWTYEI-GOSISDBHSA-N
MW379.39 g/mol
LogP3.72
Rot. Bonds5

About (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 93036575) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID93036575
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Name(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESC=CCOc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C22H18FNO4/c1-2-10-27-17-8-6-14(7-9-17)18-12-20(25)24(16-5-3-4-15(23)11-16)19-13-28-22(26)21(18)19/h2-9,11,18H,1,10,12-13H2/t18-/m1/s1
InChIKeyIXLQCQOILWTYEI-GOSISDBHSA-N
XLogP3.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036580
(4S)-1-(3-fluorophenyl)-4-(4-hydroxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7619806
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920498
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
(4R)-1-(3-bromophenyl)-4-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7554101
4-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4871299
1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920478
(4S)-4-(3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7597566
4-(3,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496396
4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294682
1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4905723
(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 93036575) is (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is C=CCOc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is IXLQCQOILWTYEI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18FNO4/c1-2-10-27-17-8-6-14(7-9-17)18-12-20(25)24(16-5-3-4-15(23)11-16)19-13-28-22(26)21(18)19/h2-9,11,18H,1,10,12-13H2/t18-/m1/s1.
What are the key properties of (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 379.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 93036575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).