5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione

C36H48N6O2 — CID 15538503

IUPAC5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
SMILESNCCNCCCCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCCNCCN
InChIInChI=1S/C36H48N6O2/c37-17-21-39-19-9-1-3-11-23-41-31-15-7-5-13-27(31)35(43)29-26-34-30(25-33(29)41)36(44)28-14-6-8-16-32(28)42(34)24-12-4-2-10-20-40-22-18-38/h5-8,13-16,25-26,39-40H,1-4,9-12,17-24,37-38H2
InChIKeyHZFPKXMFDWBMCX-UHFFFAOYSA-N
MW596.82 g/mol
LogP4.84
Rot. Bonds18

About 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione

5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione (PubChem CID 15538503) has the molecular formula C36H48N6O2 and a molecular weight of 596.82 g/mol. Its IUPAC name is 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
PubChem CID15538503
Molecular FormulaC36H48N6O2
Molecular Weight596.82 g/mol
Exact Mass596.38
IUPAC Name5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
SMILESNCCNCCCCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCCNCCN
InChIInChI=1S/C36H48N6O2/c37-17-21-39-19-9-1-3-11-23-41-31-15-7-5-13-27(31)35(43)29-26-34-30(25-33(29)41)36(44)28-14-6-8-16-32(28)42(34)24-12-4-2-10-20-40-22-18-38/h5-8,13-16,25-26,39-40H,1-4,9-12,17-24,37-38H2
InChIKeyHZFPKXMFDWBMCX-UHFFFAOYSA-N
XLogP4.84
TPSA120.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.82
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
10-[2-(ethylamino)ethyl]acridin-9-one
CID 61387070
5-[6-(3-hydroxypropoxy)hexyl]-12-[6-(3-methoxypropoxy)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 58732055
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
5-[3-(2,5-dioxopyrrol-1-yl)propyl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 59593618
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione (CID 15538503) is 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione is NCCNCCCCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCCNCCN.
What is the InChIKey of 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is HZFPKXMFDWBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6O2/c37-17-21-39-19-9-1-3-11-23-41-31-15-7-5-13-27(31)35(43)29-26-34-30(25-33(29)41)36(44)28-14-6-8-16-32(28)42(34)24-12-4-2-10-20-40-22-18-38/h5-8,13-16,25-26,39-40H,1-4,9-12,17-24,37-38H2.
What are the key properties of 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione?
5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 596.82 g/mol, XLogP of 4.84, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 15538503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).