(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide

C21H22FN3O — CID 97188254

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
SMILESCN(Cc1cccc2ncccc12)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C21H22FN3O/c1-24(2)20(15-9-11-17(22)12-10-15)21(26)25(3)14-16-6-4-8-19-18(16)7-5-13-23-19/h4-13,20H,14H2,1-3H3/t20-/m0/s1
InChIKeyKEEJDMQLGLVRFW-FQEVSTJZSA-N
MW351.43 g/mol
LogP3.64
Rot. Bonds5

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide (PubChem CID 97188254) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
PubChem CID97188254
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
SMILESCN(Cc1cccc2ncccc12)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C21H22FN3O/c1-24(2)20(15-9-11-17(22)12-10-15)21(26)25(3)14-16-6-4-8-19-18(16)7-5-13-23-19/h4-13,20H,14H2,1-3H3/t20-/m0/s1
InChIKeyKEEJDMQLGLVRFW-FQEVSTJZSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(dimethylamino)-N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 97203312
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384
N-methyl-5-pyridin-2-yl-N-(quinolin-5-ylmethyl)pyrazolidine-3-carboxamide
CID 75261619
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
CID 56863740
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 56905403
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 70709829
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
CID 26354146
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide (CID 97188254) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide is CN(Cc1cccc2ncccc12)C(=O)[C@H](c1ccc(F)cc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
The InChIKey is KEEJDMQLGLVRFW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24(2)20(15-9-11-17(22)12-10-15)21(26)25(3)14-16-6-4-8-19-18(16)7-5-13-23-19/h4-13,20H,14H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide is sourced from PubChem (CID 97188254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).