(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C16H11Cl2NO4 — CID 5452356

IUPAC(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCOc1c(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)ccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl2NO4/c1-7-5-9-11(23-16(21)12(9)15(20)19-7)6-8-3-4-10(17)13(18)14(8)22-2/h3-6H,1-2H3,(H,19,20)/b11-6-
InChIKeyPNLCHEXTFKDLAW-WDZFZDKYSA-N
MW352.17 g/mol
LogP3.67
Rot. Bonds2

About (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 5452356) has the molecular formula C16H11Cl2NO4 and a molecular weight of 352.17 g/mol. Its IUPAC name is (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID5452356
Molecular FormulaC16H11Cl2NO4
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCOc1c(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)ccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl2NO4/c1-7-5-9-11(23-16(21)12(9)15(20)19-7)6-8-3-4-10(17)13(18)14(8)22-2/h3-6H,1-2H3,(H,19,20)/b11-6-
InChIKeyPNLCHEXTFKDLAW-WDZFZDKYSA-N
XLogP3.67
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1E)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 684188
(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 5393187
1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 536058
(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 6324434
(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 700782
(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 15212297
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
3-(2-chlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719903
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one
CID 15959103
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250104
6-[(2-methylphenyl)methoxy]-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 4266889

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 5452356) is (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is COc1c(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)ccc(Cl)c1Cl.
What is the InChIKey of (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is PNLCHEXTFKDLAW-WDZFZDKYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4/c1-7-5-9-11(23-16(21)12(9)15(20)19-7)6-8-3-4-10(17)13(18)14(8)22-2/h3-6H,1-2H3,(H,19,20)/b11-6-.
What are the key properties of (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 352.17 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 5452356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).