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

C19H26N4O5 — CID 16682706

IUPAC2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid
SMILESCN(C)c1cc(NC(=O)CNC(C)(C)C)c2ccccc2n1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N4O.C2H2O4/c1-17(2,3)18-11-16(22)20-14-10-15(21(4)5)19-13-9-7-6-8-12(13)14;3-1(4)2(5)6/h6-10,18H,11H2,1-5H3,(H,19,20,22);(H,3,4)(H,5,6)
InChIKeyFROQLGRRJFAPET-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.78
Rot. Bonds4

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

2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid (PubChem CID 16682706) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid
PubChem CID16682706
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid
SMILESCN(C)c1cc(NC(=O)CNC(C)(C)C)c2ccccc2n1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N4O.C2H2O4/c1-17(2,3)18-11-16(22)20-14-10-15(21(4)5)19-13-9-7-6-8-12(13)14;3-1(4)2(5)6/h6-10,18H,11H2,1-5H3,(H,19,20,22);(H,3,4)(H,5,6)
InChIKeyFROQLGRRJFAPET-UHFFFAOYSA-N
XLogP1.78
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.78
H-Bond Donors ≤ 54
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-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
The IUPAC name of 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid (CID 16682706) is 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
The canonical SMILES for 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid is CN(C)c1cc(NC(=O)CNC(C)(C)C)c2ccccc2n1.O=C(O)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
The InChIKey is FROQLGRRJFAPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.C2H2O4/c1-17(2,3)18-11-16(22)20-14-10-15(21(4)5)19-13-9-7-6-8-12(13)14;3-1(4)2(5)6/h6-10,18H,11H2,1-5H3,(H,19,20,22);(H,3,4)(H,5,6).
What are the key properties of 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid?
2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid has a molecular weight of 390.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-(dimethylamino)quinolin-4-yl]acetamide;oxalic acid is sourced from PubChem (CID 16682706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).