4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione

C18H15NO3 — CID 10661387

IUPAC4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione
SMILESCOc1ccc(N(C)C2=CC(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyRTLCGYDDVARGFW-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione

4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione (PubChem CID 10661387) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione.

Molecular Properties

Compound Name4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione
PubChem CID10661387
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione
SMILESCOc1ccc(N(C)C2=CC(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyRTLCGYDDVARGFW-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione?
The IUPAC name of 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione (CID 10661387) is 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione.
What is the SMILES notation for 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione?
The canonical SMILES for 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione is COc1ccc(N(C)C2=CC(=O)C(=O)c3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione?
The InChIKey is RTLCGYDDVARGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione?
4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione has a molecular weight of 293.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-N-methylanilino)naphthalene-1,2-dione is sourced from PubChem (CID 10661387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).