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

C23H20ClNO4 — CID 93036580

IUPAC(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESC=CCOc1ccc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C23H20ClNO4/c1-3-10-28-17-8-5-15(6-9-17)18-12-21(26)25(20-13-29-23(27)22(18)20)16-7-4-14(2)19(24)11-16/h3-9,11,18H,1,10,12-13H2,2H3/t18-/m1/s1
InChIKeyOSAWHHYFNDPFDQ-GOSISDBHSA-N
MW409.87 g/mol
LogP4.54
Rot. Bonds5

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

(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 93036580) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is (4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID93036580
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESC=CCOc1ccc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C23H20ClNO4/c1-3-10-28-17-8-5-15(6-9-17)18-12-21(26)25(20-13-29-23(27)22(18)20)16-7-4-14(2)19(24)11-16/h3-9,11,18H,1,10,12-13H2,2H3/t18-/m1/s1
InChIKeyOSAWHHYFNDPFDQ-GOSISDBHSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.54
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

1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920478
(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036575
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496397
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-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294682
(4S)-4-(3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7597566
4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920669
(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323
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-fluorophenyl)-4-(4-hydroxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7619806

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (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) is (4R)-1-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4R)-1-(3-chloro-4-methylphenyl)-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(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of (4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is OSAWHHYFNDPFDQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-3-10-28-17-8-5-15(6-9-17)18-12-21(26)25(20-13-29-23(27)22(18)20)16-7-4-14(2)19(24)11-16/h3-9,11,18H,1,10,12-13H2,2H3/t18-/m1/s1.
What are the key properties of (4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 409.87 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 93036580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).