(6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

C26H19F2NO8 — CID 54722420

IUPAC(6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
SMILESNC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4/C(=C\c4ccc(F)cc4F)C3C(O)C2CC1=O
InChIInChI=1S/C26H19F2NO8/c27-10-5-4-9(14(28)7-10)6-12-11-2-1-3-15(30)17(11)22(33)20-18(12)21(32)13-8-16(31)19(25(29)36)23(34)26(13,37)24(20)35/h1-7,13,18,21,30,32-34,37H,8H2,(H2,29,36)/b12-6+
InChIKeySQYZMIIGVCCMER-WUXMJOGZSA-N
MW511.43 g/mol
LogP1.67
Rot. Bonds2

About (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

(6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide (PubChem CID 54722420) has the molecular formula C26H19F2NO8 and a molecular weight of 511.43 g/mol. Its IUPAC name is (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide.

Molecular Properties

Compound Name(6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
PubChem CID54722420
Molecular FormulaC26H19F2NO8
Molecular Weight511.43 g/mol
Exact Mass511.11
IUPAC Name(6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
SMILESNC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4/C(=C\c4ccc(F)cc4F)C3C(O)C2CC1=O
InChIInChI=1S/C26H19F2NO8/c27-10-5-4-9(14(28)7-10)6-12-11-2-1-3-15(30)17(11)22(33)20-18(12)21(32)13-8-16(31)19(25(29)36)23(34)26(13,37)24(20)35/h1-7,13,18,21,30,32-34,37H,8H2,(H2,29,36)/b12-6+
InChIKeySQYZMIIGVCCMER-WUXMJOGZSA-N
XLogP1.67
TPSA178.38 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.43
LogP ≤ 51.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide?
The IUPAC name of (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide (CID 54722420) is (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide.
What is the SMILES notation for (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide?
The canonical SMILES for (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide is NC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4/C(=C\c4ccc(F)cc4F)C3C(O)C2CC1=O.
What is the InChIKey of (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide?
The InChIKey is SQYZMIIGVCCMER-WUXMJOGZSA-N. The full InChI is InChI=1S/C26H19F2NO8/c27-10-5-4-9(14(28)7-10)6-12-11-2-1-3-15(30)17(11)22(33)20-18(12)21(32)13-8-16(31)19(25(29)36)23(34)26(13,37)24(20)35/h1-7,13,18,21,30,32-34,37H,8H2,(H2,29,36)/b12-6+.
What are the key properties of (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide?
(6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide has a molecular weight of 511.43 g/mol, XLogP of 1.67, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(2,4-difluorophenyl)methylidene]-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide is sourced from PubChem (CID 54722420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).