2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate

C26H34N4O6 — CID 70691206

IUPAC2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate
SMILESCc1c2ccccc2nc2c1c1cc(OCCN(C)C)ccc1n2CCN(C)C.O.O=C(O)C(=O)O
InChIInChI=1S/C24H30N4O.C2H2O4.H2O/c1-17-19-8-6-7-9-21(19)25-24-23(17)20-16-18(29-15-14-27(4)5)10-11-22(20)28(24)13-12-26(2)3;3-1(4)2(5)6;/h6-11,16H,12-15H2,1-5H3;(H,3,4)(H,5,6);1H2
InChIKeyGLWKQXUXVYYCTB-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.48
Rot. Bonds7

About 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate

2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate (PubChem CID 70691206) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate.

Molecular Properties

Compound Name2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate
PubChem CID70691206
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Name2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate
SMILESCc1c2ccccc2nc2c1c1cc(OCCN(C)C)ccc1n2CCN(C)C.O.O=C(O)C(=O)O
InChIInChI=1S/C24H30N4O.C2H2O4.H2O/c1-17-19-8-6-7-9-21(19)25-24-23(17)20-16-18(29-15-14-27(4)5)10-11-22(20)28(24)13-12-26(2)3;3-1(4)2(5)6;/h6-11,16H,12-15H2,1-5H3;(H,3,4)(H,5,6);1H2
InChIKeyGLWKQXUXVYYCTB-UHFFFAOYSA-N
XLogP2.48
TPSA139.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate?
The IUPAC name of 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate (CID 70691206) is 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate.
What is the SMILES notation for 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate?
The canonical SMILES for 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate is Cc1c2ccccc2nc2c1c1cc(OCCN(C)C)ccc1n2CCN(C)C.O.O=C(O)C(=O)O.
What is the InChIKey of 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate?
The InChIKey is GLWKQXUXVYYCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.C2H2O4.H2O/c1-17-19-8-6-7-9-21(19)25-24-23(17)20-16-18(29-15-14-27(4)5)10-11-22(20)28(24)13-12-26(2)3;3-1(4)2(5)6;/h6-11,16H,12-15H2,1-5H3;(H,3,4)(H,5,6);1H2.
What are the key properties of 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate?
2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate has a molecular weight of 498.58 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine;oxalic acid;hydrate is sourced from PubChem (CID 70691206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).