2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone

C17H9NO4 — CID 130382806

IUPAC2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESCn1c(=O)c2cc3c(=O)c4ccccc4c(=O)c3cc2c1=O
InChIInChI=1S/C17H9NO4/c1-18-16(21)12-6-10-11(7-13(12)17(18)22)15(20)9-5-3-2-4-8(9)14(10)19/h2-7H,1H3
InChIKeyKFDIMVHDQVQHPN-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.80
Rot. Bonds

About 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone

2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone (PubChem CID 130382806) has the molecular formula C17H9NO4 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone.

Molecular Properties

Compound Name2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
PubChem CID130382806
Molecular FormulaC17H9NO4
Molecular Weight291.26 g/mol
Exact Mass291.05
IUPAC Name2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESCn1c(=O)c2cc3c(=O)c4ccccc4c(=O)c3cc2c1=O
InChIInChI=1S/C17H9NO4/c1-18-16(21)12-6-10-11(7-13(12)17(18)22)15(20)9-5-3-2-4-8(9)14(10)19/h2-7H,1H3
InChIKeyKFDIMVHDQVQHPN-UHFFFAOYSA-N
XLogP0.80
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The IUPAC name of 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone (CID 130382806) is 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone.
What is the SMILES notation for 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The canonical SMILES for 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone is Cn1c(=O)c2cc3c(=O)c4ccccc4c(=O)c3cc2c1=O.
What is the InChIKey of 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The InChIKey is KFDIMVHDQVQHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO4/c1-18-16(21)12-6-10-11(7-13(12)17(18)22)15(20)9-5-3-2-4-8(9)14(10)19/h2-7H,1H3.
What are the key properties of 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone has a molecular weight of 291.26 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone is sourced from PubChem (CID 130382806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).