5,12-diaminoquinolino[2,3-b]acridine-7,14-dione

C20H14N4O2 — CID 20821728

IUPAC5,12-diaminoquinolino[2,3-b]acridine-7,14-dione
SMILESNn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3N
InChIInChI=1S/C20H14N4O2/c21-23-15-7-3-1-5-11(15)19(25)13-9-18-14(10-17(13)23)20(26)12-6-2-4-8-16(12)24(18)22/h1-10H,21-22H2
InChIKeyABIWVMZKBDKOTO-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.05
Rot. Bonds

About 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione

5,12-diaminoquinolino[2,3-b]acridine-7,14-dione (PubChem CID 20821728) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-diaminoquinolino[2,3-b]acridine-7,14-dione
PubChem CID20821728
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name5,12-diaminoquinolino[2,3-b]acridine-7,14-dione
SMILESNn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3N
InChIInChI=1S/C20H14N4O2/c21-23-15-7-3-1-5-11(15)19(25)13-9-18-14(10-17(13)23)20(26)12-6-2-4-8-16(12)24(18)22/h1-10H,21-22H2
InChIKeyABIWVMZKBDKOTO-UHFFFAOYSA-N
XLogP2.05
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
acetylene;10-amino-2-methylacridin-9-one;formaldehyde;N-methylethanamine;N-methylmethanamine
CID 143603735
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
1-amino-4-propan-2-ylquinolin-2-one
CID 162256831
5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione
CID 134313662
1-amino-3-methylquinazoline-2,4-dione
CID 14937715
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
11-iodobenzo[b][1]benzazepine-5,6-dione
CID 139448452
10-methyl-2-phenylacridin-9-one
CID 18533849
5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 15538503
11-fluoro-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 163712708
10-(3-hydroxypropyl)acridin-9-one
CID 12677142

Frequently Asked Questions

What is the IUPAC name of 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione (CID 20821728) is 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione is Nn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3N.
What is the InChIKey of 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is ABIWVMZKBDKOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-23-15-7-3-1-5-11(15)19(25)13-9-18-14(10-17(13)23)20(26)12-6-2-4-8-16(12)24(18)22/h1-10H,21-22H2.
What are the key properties of 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione?
5,12-diaminoquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 342.36 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diaminoquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 20821728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).