bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid

C24H26N4O4 — CID 121229149

IUPACbis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
SMILESCNCc1cccc2cccnc12.CNCc1cccc2cccnc12.O=C(O)C(=O)O
InChIInChI=1S/2C11H12N2.C2H2O4/c2*1-12-8-10-5-2-4-9-6-3-7-13-11(9)10;3-1(4)2(5)6/h2*2-7,12H,8H2,1H3;(H,3,4)(H,5,6)
InChIKeyLLJJFIJVEODCDZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.06
Rot. Bonds4

About bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid

bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid (PubChem CID 121229149) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid.

Molecular Properties

Compound Namebis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
PubChem CID121229149
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Namebis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
SMILESCNCc1cccc2cccnc12.CNCc1cccc2cccnc12.O=C(O)C(=O)O
InChIInChI=1S/2C11H12N2.C2H2O4/c2*1-12-8-10-5-2-4-9-6-3-7-13-11(9)10;3-1(4)2(5)6/h2*2-7,12H,8H2,1H3;(H,3,4)(H,5,6)
InChIKeyLLJJFIJVEODCDZ-UHFFFAOYSA-N
XLogP3.06
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
N-methyl-1-(2-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322209

Frequently Asked Questions

What is the IUPAC name of bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid?
The IUPAC name of bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid (CID 121229149) is bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid.
What is the SMILES notation for bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid?
The canonical SMILES for bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid is CNCc1cccc2cccnc12.CNCc1cccc2cccnc12.O=C(O)C(=O)O.
What is the InChIKey of bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid?
The InChIKey is LLJJFIJVEODCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2.C2H2O4/c2*1-12-8-10-5-2-4-9-6-3-7-13-11(9)10;3-1(4)2(5)6/h2*2-7,12H,8H2,1H3;(H,3,4)(H,5,6).
What are the key properties of bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid?
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid has a molecular weight of 434.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid is sourced from PubChem (CID 121229149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).