5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione

C28H28N2O6 — CID 141053736

IUPAC5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2cc3c(=O)c4c(OC)cc(OC)cc4n(CC)c3cc2c(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C28H28N2O6/c1-7-29-19-13-18-20(14-17(19)27(31)25-21(29)9-15(33-3)11-23(25)35-5)30(8-2)22-10-16(34-4)12-24(36-6)26(22)28(18)32/h9-14H,7-8H2,1-6H3
InChIKeyJTRXGBSNZMDTPW-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.70
Rot. Bonds6

About 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione

5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione (PubChem CID 141053736) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
PubChem CID141053736
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2cc3c(=O)c4c(OC)cc(OC)cc4n(CC)c3cc2c(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C28H28N2O6/c1-7-29-19-13-18-20(14-17(19)27(31)25-21(29)9-15(33-3)11-23(25)35-5)30(8-2)22-10-16(34-4)12-24(36-6)26(22)28(18)32/h9-14H,7-8H2,1-6H3
InChIKeyJTRXGBSNZMDTPW-UHFFFAOYSA-N
XLogP4.70
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one
CID 10526453
3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one
CID 4912346
10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one
CID 10575195
5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one
CID 4912354
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
CID 68586093
5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796239
1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione
CID 58586577
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829

Frequently Asked Questions

What is the IUPAC name of 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione (CID 141053736) is 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione is CCn1c2cc3c(=O)c4c(OC)cc(OC)cc4n(CC)c3cc2c(=O)c2c(OC)cc(OC)cc21.
What is the InChIKey of 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is JTRXGBSNZMDTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-7-29-19-13-18-20(14-17(19)27(31)25-21(29)9-15(33-3)11-23(25)35-5)30(8-2)22-10-16(34-4)12-24(36-6)26(22)28(18)32/h9-14H,7-8H2,1-6H3.
What are the key properties of 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione?
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 488.54 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 141053736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).