2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C22H23FN4O — CID 25352263

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@H](NC(=O)CN1CCCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-26-14-12-24-22(26)21(17-8-10-18(23)11-9-17)25-20(28)15-27-13-4-6-16-5-2-3-7-19(16)27/h2-3,5,7-12,14,21H,4,6,13,15H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyOBLIMKUGBDYOCK-OAQYLSRUSA-N
MW378.45 g/mol
LogP3.22
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25352263) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25352263
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@H](NC(=O)CN1CCCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-26-14-12-24-22(26)21(17-8-10-18(23)11-9-17)25-20(28)15-27-13-4-6-16-5-2-3-7-19(16)27/h2-3,5,7-12,14,21H,4,6,13,15H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyOBLIMKUGBDYOCK-OAQYLSRUSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46613984
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 40809559
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46698593
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 166188556
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 24683970
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
2-(4-tert-butylphenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55500150

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25352263) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@H](NC(=O)CN1CCCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is OBLIMKUGBDYOCK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-26-14-12-24-22(26)21(17-8-10-18(23)11-9-17)25-20(28)15-27-13-4-6-16-5-2-3-7-19(16)27/h2-3,5,7-12,14,21H,4,6,13,15H2,1H3,(H,25,28)/t21-/m1/s1.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25352263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).