(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C21H18BrNO4 — CID 93036535

IUPAC(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCOc1ccccc1[C@H]1CC(=O)N(c2ccc(Br)cc2)C2=C1C(=O)OC2
InChIInChI=1S/C21H18BrNO4/c1-2-26-18-6-4-3-5-15(18)16-11-19(24)23(14-9-7-13(22)8-10-14)17-12-27-21(25)20(16)17/h3-10,16H,2,11-12H2,1H3/t16-/m1/s1
InChIKeyCDXJCGBDOBHINP-MRXNPFEDSA-N
MW428.28 g/mol
LogP4.18
Rot. Bonds4

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

(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 93036535) has the molecular formula C21H18BrNO4 and a molecular weight of 428.28 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID93036535
Molecular FormulaC21H18BrNO4
Molecular Weight428.28 g/mol
Exact Mass427.04
IUPAC Name(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCOc1ccccc1[C@H]1CC(=O)N(c2ccc(Br)cc2)C2=C1C(=O)OC2
InChIInChI=1S/C21H18BrNO4/c1-2-26-18-6-4-3-5-15(18)16-11-19(24)23(14-9-7-13(22)8-10-14)17-12-27-21(25)20(16)17/h3-10,16H,2,11-12H2,1H3/t16-/m1/s1
InChIKeyCDXJCGBDOBHINP-MRXNPFEDSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036530
(4S)-1-(4-bromophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7631940
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920498
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25043224
4-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496432
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426316
2-chloro-5-[4-(2-ethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23802361
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426306
(4R)-1-(3-bromophenyl)-4-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7554101

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 93036535) is (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCOc1ccccc1[C@H]1CC(=O)N(c2ccc(Br)cc2)C2=C1C(=O)OC2.
What is the InChIKey of (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is CDXJCGBDOBHINP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18BrNO4/c1-2-26-18-6-4-3-5-15(18)16-11-19(24)23(14-9-7-13(22)8-10-14)17-12-27-21(25)20(16)17/h3-10,16H,2,11-12H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 428.28 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 93036535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).