2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide

C20H22N4O — CID 71990803

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
SMILESCN(C)c1cc(CNC(C(N)=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-24(2)18-12-15(16-10-6-7-11-17(16)23-18)13-22-19(20(21)25)14-8-4-3-5-9-14/h3-12,19,22H,13H2,1-2H3,(H2,21,25)
InChIKeyWPQSOHODVMULRY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.62
Rot. Bonds6

About 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide

2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide (PubChem CID 71990803) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
PubChem CID71990803
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
SMILESCN(C)c1cc(CNC(C(N)=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-24(2)18-12-15(16-10-6-7-11-17(16)23-18)13-22-19(20(21)25)14-8-4-3-5-9-14/h3-12,19,22H,13H2,1-2H3,(H2,21,25)
InChIKeyWPQSOHODVMULRY-UHFFFAOYSA-N
XLogP2.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide (CID 71990803) is 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide is CN(C)c1cc(CNC(C(N)=O)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide?
The InChIKey is WPQSOHODVMULRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24(2)18-12-15(16-10-6-7-11-17(16)23-18)13-22-19(20(21)25)14-8-4-3-5-9-14/h3-12,19,22H,13H2,1-2H3,(H2,21,25).
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide?
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 71990803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).