N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid

C24H35N3O5 — CID 2835370

IUPACN-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid
SMILESCCCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CCC.O=C(O)C(=O)O
InChIInChI=1S/C22H33N3O.C2H2O4/c1-5-9-14-19-17(12-6-2)22(18-13-10-11-15-20(18)23-19)24-21(26)16-25(7-3)8-4;3-1(4)2(5)6/h10-11,13,15H,5-9,12,14,16H2,1-4H3,(H,23,24,26);(H,3,4)(H,5,6)
InChIKeyYAPWNZMIUAYVFT-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.97
Rot. Bonds10

About N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid

N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid (PubChem CID 2835370) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid
PubChem CID2835370
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC NameN-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid
SMILESCCCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CCC.O=C(O)C(=O)O
InChIInChI=1S/C22H33N3O.C2H2O4/c1-5-9-14-19-17(12-6-2)22(18-13-10-11-15-20(18)23-19)24-21(26)16-25(7-3)8-4;3-1(4)2(5)6/h10-11,13,15H,5-9,12,14,16H2,1-4H3,(H,23,24,26);(H,3,4)(H,5,6)
InChIKeyYAPWNZMIUAYVFT-UHFFFAOYSA-N
XLogP3.97
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid?
The IUPAC name of N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid (CID 2835370) is N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid.
What is the SMILES notation for N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid?
The canonical SMILES for N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid is CCCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CCC.O=C(O)C(=O)O.
What is the InChIKey of N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid?
The InChIKey is YAPWNZMIUAYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O.C2H2O4/c1-5-9-14-19-17(12-6-2)22(18-13-10-11-15-20(18)23-19)24-21(26)16-25(7-3)8-4;3-1(4)2(5)6/h10-11,13,15H,5-9,12,14,16H2,1-4H3,(H,23,24,26);(H,3,4)(H,5,6).
What are the key properties of N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid?
N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid has a molecular weight of 445.56 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3-propylquinolin-4-yl)-2-(diethylamino)acetamide;oxalic acid is sourced from PubChem (CID 2835370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).