6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid

C28H26N2O4 — CID 67024047

IUPAC6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
SMILESCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCC(=O)O
InChIInChI=1S/C28H26N2O4/c1-2-29-22-12-7-5-10-18(22)27(33)20-17-25-21(16-24(20)29)28(34)19-11-6-8-13-23(19)30(25)15-9-3-4-14-26(31)32/h5-8,10-13,16-17H,2-4,9,14-15H2,1H3,(H,31,32)
InChIKeyQRNBUGIAMQWLJF-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.29
Rot. Bonds7

About 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid

6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid (PubChem CID 67024047) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid.

Molecular Properties

Compound Name6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
PubChem CID67024047
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
SMILESCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCC(=O)O
InChIInChI=1S/C28H26N2O4/c1-2-29-22-12-7-5-10-18(22)27(33)20-17-25-21(16-24(20)29)28(34)19-11-6-8-13-23(19)30(25)15-9-3-4-14-26(31)32/h5-8,10-13,16-17H,2-4,9,14-15H2,1H3,(H,31,32)
InChIKeyQRNBUGIAMQWLJF-UHFFFAOYSA-N
XLogP5.29
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 15538503
11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
CID 66663531
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
5-[6-(3-hydroxypropoxy)hexyl]-12-[6-(3-methoxypropoxy)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 58732055
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142

Frequently Asked Questions

What is the IUPAC name of 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid?
The IUPAC name of 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid (CID 67024047) is 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid.
What is the SMILES notation for 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid?
The canonical SMILES for 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid is CCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCC(=O)O.
What is the InChIKey of 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid?
The InChIKey is QRNBUGIAMQWLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-2-29-22-12-7-5-10-18(22)27(33)20-17-25-21(16-24(20)29)28(34)19-11-6-8-13-23(19)30(25)15-9-3-4-14-26(31)32/h5-8,10-13,16-17H,2-4,9,14-15H2,1H3,(H,31,32).
What are the key properties of 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid?
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid has a molecular weight of 454.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid is sourced from PubChem (CID 67024047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).