4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C25H30N2O8 — CID 91060038

IUPAC4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCOc1c(CO)cc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(OC)C(C)=C1C2=O
InChIInChI=1S/C25H30N2O8/c1-10-16-11(6-13-17(20(16)30)15(29)8-12(9-28)22(13)34-4)7-14-19(27(2)3)21(31)18(24(26)33)23(32)25(10,14)35-5/h8,11,14,18-19,28-29H,6-7,9H2,1-5H3,(H2,26,33)
InChIKeySZQGOJPVAVHFCP-UHFFFAOYSA-N
MW486.52 g/mol
LogP0.15
Rot. Bonds5

About 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 91060038) has the molecular formula C25H30N2O8 and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID91060038
Molecular FormulaC25H30N2O8
Molecular Weight486.52 g/mol
Exact Mass486.20
IUPAC Name4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCOc1c(CO)cc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(OC)C(C)=C1C2=O
InChIInChI=1S/C25H30N2O8/c1-10-16-11(6-13-17(20(16)30)15(29)8-12(9-28)22(13)34-4)7-14-19(27(2)3)21(31)18(24(26)33)23(32)25(10,14)35-5/h8,11,14,18-19,28-29H,6-7,9H2,1-5H3,(H2,26,33)
InChIKeySZQGOJPVAVHFCP-UHFFFAOYSA-N
XLogP0.15
TPSA156.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 91060038) is 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is COc1c(CO)cc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(OC)C(C)=C1C2=O.
What is the InChIKey of 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The InChIKey is SZQGOJPVAVHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O8/c1-10-16-11(6-13-17(20(16)30)15(29)8-12(9-28)22(13)34-4)7-14-19(27(2)3)21(31)18(24(26)33)23(32)25(10,14)35-5/h8,11,14,18-19,28-29H,6-7,9H2,1-5H3,(H2,26,33).
What are the key properties of 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-10-hydroxy-8-(hydroxymethyl)-7,12a-dimethoxy-12-methyl-1,3,11-trioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 91060038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).