5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione

C23H18N2O3 — CID 139796239

IUPAC5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccc(OC)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C23H18N2O3/c1-3-25-20-9-8-13(28-2)10-16(20)23(27)17-11-19-15(12-21(17)25)22(26)14-6-4-5-7-18(14)24-19/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyKYFKJBZMMVOFHA-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.18
Rot. Bonds2

About 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione

5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139796239) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID139796239
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccc(OC)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C23H18N2O3/c1-3-25-20-9-8-13(28-2)10-16(20)23(27)17-11-19-15(12-21(17)25)22(26)14-6-4-5-7-18(14)24-19/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyKYFKJBZMMVOFHA-UHFFFAOYSA-N
XLogP4.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796199
2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796238
2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796157
5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796151
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
5-[3-(2,5-dioxopyrrol-1-yl)propyl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 59593618
2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione
CID 139791356
9H-carbazole;9-ethylcarbazole
CID 159391034
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
2-octoxy-10H-acridin-9-one
CID 611041
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
CID 66663531

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione (CID 139796239) is 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione is CCn1c2ccc(OC)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21.
What is the InChIKey of 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is KYFKJBZMMVOFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-3-25-20-9-8-13(28-2)10-16(20)23(27)17-11-19-15(12-21(17)25)22(26)14-6-4-5-7-18(14)24-19/h4-12H,3H2,1-2H3,(H,24,26).
What are the key properties of 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione?
5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 370.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139796239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).