2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate

C34H22N4O4 — CID 10506859

IUPAC2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate
SMILESO=C(OCCOC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12)c1c2ccccc2nc2c1[nH]c1ccccc12
InChIInChI=1S/C34H22N4O4/c39-33(27-19-9-1-5-13-23(19)35-29-21-11-3-7-15-25(21)37-31(27)29)41-17-18-42-34(40)28-20-10-2-6-14-24(20)36-30-22-12-4-8-16-26(22)38-32(28)30/h1-16,37-38H,17-18H2
InChIKeyQARSKUJTUHGKBJ-UHFFFAOYSA-N
MW550.57 g/mol
LogP7.07
Rot. Bonds5

About 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate

2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate (PubChem CID 10506859) has the molecular formula C34H22N4O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate.

Molecular Properties

Compound Name2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate
PubChem CID10506859
Molecular FormulaC34H22N4O4
Molecular Weight550.57 g/mol
Exact Mass550.16
IUPAC Name2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate
SMILESO=C(OCCOC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12)c1c2ccccc2nc2c1[nH]c1ccccc12
InChIInChI=1S/C34H22N4O4/c39-33(27-19-9-1-5-13-23(19)35-29-21-11-3-7-15-25(21)37-31(27)29)41-17-18-42-34(40)28-20-10-2-6-14-24(20)36-30-22-12-4-8-16-26(22)38-32(28)30/h1-16,37-38H,17-18H2
InChIKeyQARSKUJTUHGKBJ-UHFFFAOYSA-N
XLogP7.07
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.57
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate?
The IUPAC name of 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate (CID 10506859) is 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate.
What is the SMILES notation for 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate?
The canonical SMILES for 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate is O=C(OCCOC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12)c1c2ccccc2nc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate?
The InChIKey is QARSKUJTUHGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O4/c39-33(27-19-9-1-5-13-23(19)35-29-21-11-3-7-15-25(21)37-31(27)29)41-17-18-42-34(40)28-20-10-2-6-14-24(20)36-30-22-12-4-8-16-26(22)38-32(28)30/h1-16,37-38H,17-18H2.
What are the key properties of 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate?
2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate has a molecular weight of 550.57 g/mol, XLogP of 7.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate is sourced from PubChem (CID 10506859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).