N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid

C24H28N4O5 — CID 16682709

IUPACN-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid
SMILESCC(Cc1ccccc1)NCC(=O)Nc1cc(N(C)C)nc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C22H26N4O.C2H2O4/c1-16(13-17-9-5-4-6-10-17)23-15-22(27)25-20-14-21(26(2)3)24-19-12-8-7-11-18(19)20;3-1(4)2(5)6/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25,27);(H,3,4)(H,5,6)
InChIKeyYEAZUQFQKJLOMB-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid

N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid (PubChem CID 16682709) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid
PubChem CID16682709
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid
SMILESCC(Cc1ccccc1)NCC(=O)Nc1cc(N(C)C)nc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C22H26N4O.C2H2O4/c1-16(13-17-9-5-4-6-10-17)23-15-22(27)25-20-14-21(26(2)3)24-19-12-8-7-11-18(19)20;3-1(4)2(5)6/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25,27);(H,3,4)(H,5,6)
InChIKeyYEAZUQFQKJLOMB-UHFFFAOYSA-N
XLogP2.62
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.62
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

benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
CID 3650696
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
2-N,2-N,4-N-trimethylquinoline-2,4-diamine
CID 14338127
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
CID 71990803
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
CID 20838461

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid?
The IUPAC name of N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid (CID 16682709) is N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid.
What is the SMILES notation for N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid?
The canonical SMILES for N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid is CC(Cc1ccccc1)NCC(=O)Nc1cc(N(C)C)nc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid?
The InChIKey is YEAZUQFQKJLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.C2H2O4/c1-16(13-17-9-5-4-6-10-17)23-15-22(27)25-20-14-21(26(2)3)24-19-12-8-7-11-18(19)20;3-1(4)2(5)6/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25,27);(H,3,4)(H,5,6).
What are the key properties of N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid?
N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid has a molecular weight of 452.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid is sourced from PubChem (CID 16682709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).