2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione

C24H20N2O4 — CID 134130715

IUPAC2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
SMILESCN(C)C1=C(C2=C(N(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O4/c1-25(2)19-17(21(27)13-9-5-7-11-15(13)23(19)29)18-20(26(3)4)24(30)16-12-8-6-10-14(16)22(18)28/h5-12H,1-4H3
InChIKeyLGYIIMYMFARREY-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.78
Rot. Bonds3

About 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione

2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione (PubChem CID 134130715) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
PubChem CID134130715
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
SMILESCN(C)C1=C(C2=C(N(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O4/c1-25(2)19-17(21(27)13-9-5-7-11-15(13)23(19)29)18-20(26(3)4)24(30)16-12-8-6-10-14(16)22(18)28/h5-12H,1-4H3
InChIKeyLGYIIMYMFARREY-UHFFFAOYSA-N
XLogP2.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione?
The IUPAC name of 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione (CID 134130715) is 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione.
What is the SMILES notation for 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione?
The canonical SMILES for 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione is CN(C)C1=C(C2=C(N(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione?
The InChIKey is LGYIIMYMFARREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-25(2)19-17(21(27)13-9-5-7-11-15(13)23(19)29)18-20(26(3)4)24(30)16-12-8-6-10-14(16)22(18)28/h5-12H,1-4H3.
What are the key properties of 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione?
2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione has a molecular weight of 400.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione is sourced from PubChem (CID 134130715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).