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

C22H20ClNO6 — CID 4905723

IUPAC1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cc(C2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC
InChIInChI=1S/C22H20ClNO6/c1-27-17-7-12(8-18(28-2)21(17)29-3)15-10-19(25)24(14-6-4-5-13(23)9-14)16-11-30-22(26)20(15)16/h4-9,15H,10-11H2,1-3H3
InChIKeyFWIBRKLNKPKIKI-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.70
Rot. Bonds5

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

1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4905723) has the molecular formula C22H20ClNO6 and a molecular weight of 429.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4905723
Molecular FormulaC22H20ClNO6
Molecular Weight429.86 g/mol
Exact Mass429.10
IUPAC Name1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cc(C2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC
InChIInChI=1S/C22H20ClNO6/c1-27-17-7-12(8-18(28-2)21(17)29-3)15-10-19(25)24(14-6-4-5-13(23)9-14)16-11-30-22(26)20(15)16/h4-9,15H,10-11H2,1-3H3
InChIKeyFWIBRKLNKPKIKI-UHFFFAOYSA-N
XLogP3.70
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323
4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294682
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496414
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426289
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496397
4-(3,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496396
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426306
(7S)-4-(3-chlorophenyl)-3-methyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95166475
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4905723) is 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is COc1cc(C2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC.
What is the InChIKey of 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is FWIBRKLNKPKIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6/c1-27-17-7-12(8-18(28-2)21(17)29-3)15-10-19(25)24(14-6-4-5-13(23)9-14)16-11-30-22(26)20(15)16/h4-9,15H,10-11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 429.86 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4905723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).