2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid

C19H26N4O5 — CID 16682707

IUPAC2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid
SMILESCCN(CC)CC(=O)Nc1cc(N(C)C)nc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C17H24N4O.C2H2O4/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15;3-1(4)2(5)6/h7-11H,5-6,12H2,1-4H3,(H,18,19,22);(H,3,4)(H,5,6)
InChIKeyIXXYBEYWPLOOMJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.74
Rot. Bonds6

About 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid

2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid (PubChem CID 16682707) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid
PubChem CID16682707
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid
SMILESCCN(CC)CC(=O)Nc1cc(N(C)C)nc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C17H24N4O.C2H2O4/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15;3-1(4)2(5)6/h7-11H,5-6,12H2,1-4H3,(H,18,19,22);(H,3,4)(H,5,6)
InChIKeyIXXYBEYWPLOOMJ-UHFFFAOYSA-N
XLogP1.74
TPSA123.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
The IUPAC name of 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid (CID 16682707) is 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid.
What is the SMILES notation for 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
The canonical SMILES for 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid is CCN(CC)CC(=O)Nc1cc(N(C)C)nc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
The InChIKey is IXXYBEYWPLOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.C2H2O4/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15;3-1(4)2(5)6/h7-11H,5-6,12H2,1-4H3,(H,18,19,22);(H,3,4)(H,5,6).
What are the key properties of 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid has a molecular weight of 390.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid is sourced from PubChem (CID 16682707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).