5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione

C20H11F2N3O2 — CID 134313662

IUPAC5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESNn1c2ccc(F)cc2c(=O)c2cc3[nH]c4ccc(F)cc4c(=O)c3cc21
InChIInChI=1S/C20H11F2N3O2/c21-9-1-3-15-11(5-9)19(26)12-8-18-14(7-16(12)24-15)20(27)13-6-10(22)2-4-17(13)25(18)23/h1-8H,23H2,(H,24,26)
InChIKeyKBRQLGPCTZBYBO-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.14
Rot. Bonds

About 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione

5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 134313662) has the molecular formula C20H11F2N3O2 and a molecular weight of 363.32 g/mol. Its IUPAC name is 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID134313662
Molecular FormulaC20H11F2N3O2
Molecular Weight363.32 g/mol
Exact Mass363.08
IUPAC Name5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESNn1c2ccc(F)cc2c(=O)c2cc3[nH]c4ccc(F)cc4c(=O)c3cc21
InChIInChI=1S/C20H11F2N3O2/c21-9-1-3-15-11(5-9)19(26)12-8-18-14(7-16(12)24-15)20(27)13-6-10(22)2-4-17(13)25(18)23/h1-8H,23H2,(H,24,26)
InChIKeyKBRQLGPCTZBYBO-UHFFFAOYSA-N
XLogP3.14
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione (CID 134313662) is 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione is Nn1c2ccc(F)cc2c(=O)c2cc3[nH]c4ccc(F)cc4c(=O)c3cc21.
What is the InChIKey of 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is KBRQLGPCTZBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N3O2/c21-9-1-3-15-11(5-9)19(26)12-8-18-14(7-16(12)24-15)20(27)13-6-10(22)2-4-17(13)25(18)23/h1-8H,23H2,(H,24,26).
What are the key properties of 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione?
5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 363.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 134313662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).