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

C21H18ClNO5 — CID 7268743

IUPAC(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1OC
InChIInChI=1S/C21H18ClNO5/c1-26-17-5-3-4-14(20(17)27-2)15-10-18(24)23(13-8-6-12(22)7-9-13)16-11-28-21(25)19(15)16/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyQRRZDJIZSWAQDV-OAHLLOKOSA-N
MW399.83 g/mol
LogP3.69
Rot. Bonds4

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

(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 7268743) has the molecular formula C21H18ClNO5 and a molecular weight of 399.83 g/mol. Its IUPAC name is (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID7268743
Molecular FormulaC21H18ClNO5
Molecular Weight399.83 g/mol
Exact Mass399.09
IUPAC Name(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1OC
InChIInChI=1S/C21H18ClNO5/c1-26-17-5-3-4-14(20(17)27-2)15-10-18(24)23(13-8-6-12(22)7-9-13)16-11-28-21(25)19(15)16/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyQRRZDJIZSWAQDV-OAHLLOKOSA-N
XLogP3.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426316
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826
1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4905723
1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496414
(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323
4-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496432
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23831120
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036530
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496691
(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036535

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 7268743) is (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1OC.
What is the InChIKey of (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is QRRZDJIZSWAQDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18ClNO5/c1-26-17-5-3-4-14(20(17)27-2)15-10-18(24)23(13-8-6-12(22)7-9-13)16-11-28-21(25)19(15)16/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 399.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 7268743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).