2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate

C20H14NO6- — CID 121232726

IUPAC2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate
SMILESCc1c2cccc(O)c2c(O)c2c(O)c3c([O-])c(C(N)=O)c(O)cc3cc12
InChIInChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)/p-1
InChIKeyWBDQDVXPSGTJAV-UHFFFAOYSA-M
MW364.33 g/mol
LogP2.45
Rot. Bonds1

About 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate

2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate (PubChem CID 121232726) has the molecular formula C20H14NO6- and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate.

Molecular Properties

Compound Name2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate
PubChem CID121232726
Molecular FormulaC20H14NO6-
Molecular Weight364.33 g/mol
Exact Mass364.08
IUPAC Name2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate
SMILESCc1c2cccc(O)c2c(O)c2c(O)c3c([O-])c(C(N)=O)c(O)cc3cc12
InChIInChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)/p-1
InChIKeyWBDQDVXPSGTJAV-UHFFFAOYSA-M
XLogP2.45
TPSA147.07 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate?
The IUPAC name of 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate (CID 121232726) is 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate.
What is the SMILES notation for 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate?
The canonical SMILES for 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate is Cc1c2cccc(O)c2c(O)c2c(O)c3c([O-])c(C(N)=O)c(O)cc3cc12.
What is the InChIKey of 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate?
The InChIKey is WBDQDVXPSGTJAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)/p-1.
What are the key properties of 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate?
2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate has a molecular weight of 364.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate is sourced from PubChem (CID 121232726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).