12-methylbenzo[c]acridin-7-one

C18H13NO — CID 15399601

IUPAC12-methylbenzo[c]acridin-7-one
SMILESCn1c2ccccc2c(=O)c2ccc3ccccc3c21
InChIInChI=1S/C18H13NO/c1-19-16-9-5-4-8-14(16)18(20)15-11-10-12-6-2-3-7-13(12)17(15)19/h2-11H,1H3
InChIKeyLBWGTPVFXHRSNC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.84
Rot. Bonds

About 12-methylbenzo[c]acridin-7-one

12-methylbenzo[c]acridin-7-one (PubChem CID 15399601) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 12-methylbenzo[c]acridin-7-one.

Molecular Properties

Compound Name12-methylbenzo[c]acridin-7-one
PubChem CID15399601
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name12-methylbenzo[c]acridin-7-one
SMILESCn1c2ccccc2c(=O)c2ccc3ccccc3c21
InChIInChI=1S/C18H13NO/c1-19-16-9-5-4-8-14(16)18(20)15-11-10-12-6-2-3-7-13(12)17(15)19/h2-11H,1H3
InChIKeyLBWGTPVFXHRSNC-UHFFFAOYSA-N
XLogP3.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-methylbenzo[c]acridin-7-one?
The IUPAC name of 12-methylbenzo[c]acridin-7-one (CID 15399601) is 12-methylbenzo[c]acridin-7-one.
What is the SMILES notation for 12-methylbenzo[c]acridin-7-one?
The canonical SMILES for 12-methylbenzo[c]acridin-7-one is Cn1c2ccccc2c(=O)c2ccc3ccccc3c21.
What is the InChIKey of 12-methylbenzo[c]acridin-7-one?
The InChIKey is LBWGTPVFXHRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-19-16-9-5-4-8-14(16)18(20)15-11-10-12-6-2-3-7-13(12)17(15)19/h2-11H,1H3.
What are the key properties of 12-methylbenzo[c]acridin-7-one?
12-methylbenzo[c]acridin-7-one has a molecular weight of 259.31 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylbenzo[c]acridin-7-one is sourced from PubChem (CID 15399601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).