4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C32H35N3O9 — CID 118504923

About 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 118504923) has the molecular formula C32H35N3O9 and a molecular weight of 605.64 g/mol. Its IUPAC name is 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• PubChem CID: 118504923
• Molecular Formula: C32H35N3O9
• Molecular Weight: 605.64 g/mol
• Exact Mass: 605.24
• IUPAC Name: 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• SMILES: CON(C)CC(=O)Cc1ccc(-c2ccc(O)c3c2CC2CC4C(N(C)C)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C2=C3O)cc1
• InChI: InChI=1S/C32H35N3O9/c1-34(2)26-21-13-17-12-20-19(16-7-5-15(6-8-16)11-18(36)14-35(3)44-4)9-10-22(37)24(20)27(38)23(17)29(40)32(21,43)30(41)25(28(26)39)31(33)42/h5-10,17,21,26,37-38,41,43H,11-14H2,1-4H3,(H2,33,42)
• InChIKey: MOPSORGGHMVTJL-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 190.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.64
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The IUPAC name of 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 118504923) is 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

What is the SMILES notation for 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The canonical SMILES for 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is CON(C)CC(=O)Cc1ccc(-c2ccc(O)c3c2CC2CC4C(N(C)C)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C2=C3O)cc1.

What is the InChIKey of 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The InChIKey is MOPSORGGHMVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O9/c1-34(2)26-21-13-17-12-20-19(16-7-5-15(6-8-16)11-18(36)14-35(3)44-4)9-10-22(37)24(20)27(38)23(17)29(40)32(21,43)30(41)25(28(26)39)31(33)42/h5-10,17,21,26,37-38,41,43H,11-14H2,1-4H3,(H2,33,42).

What are the key properties of 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 605.64 g/mol, XLogP of 1.24, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[4-[3-[methoxy(methyl)amino]-2-oxopropyl]phenyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 118504923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).