2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one

C23H18N2O — CID 89357147

IUPAC2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one
SMILESC=C1c2cc(C)ccc2Nc2cc3c(=O)c4cc(C)ccc4[nH]c3cc21
InChIInChI=1S/C23H18N2O/c1-12-4-6-19-15(8-12)14(3)16-10-22-18(11-21(16)24-19)23(26)17-9-13(2)5-7-20(17)25-22/h4-11,24H,3H2,1-2H3,(H,25,26)
InChIKeyRNTJYMLONWIGFR-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.42
Rot. Bonds

About 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one

2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one (PubChem CID 89357147) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one.

Molecular Properties

Compound Name2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one
PubChem CID89357147
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one
SMILESC=C1c2cc(C)ccc2Nc2cc3c(=O)c4cc(C)ccc4[nH]c3cc21
InChIInChI=1S/C23H18N2O/c1-12-4-6-19-15(8-12)14(3)16-10-22-18(11-21(16)24-19)23(26)17-9-13(2)5-7-20(17)25-22/h4-11,24H,3H2,1-2H3,(H,25,26)
InChIKeyRNTJYMLONWIGFR-UHFFFAOYSA-N
XLogP5.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one?
The IUPAC name of 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one (CID 89357147) is 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one.
What is the SMILES notation for 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one?
The canonical SMILES for 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one is C=C1c2cc(C)ccc2Nc2cc3c(=O)c4cc(C)ccc4[nH]c3cc21.
What is the InChIKey of 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one?
The InChIKey is RNTJYMLONWIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-12-4-6-19-15(8-12)14(3)16-10-22-18(11-21(16)24-19)23(26)17-9-13(2)5-7-20(17)25-22/h4-11,24H,3H2,1-2H3,(H,25,26).
What are the key properties of 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one?
2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one has a molecular weight of 338.41 g/mol, XLogP of 5.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one is sourced from PubChem (CID 89357147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).