2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C16H22FN3O3 — CID 37383582

IUPAC2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCc2cc(C)cc(F)c21
InChIInChI=1S/C16H22FN3O3/c1-11-8-12-4-3-6-20(15(12)13(17)9-11)10-14(21)19-16(22)18-5-7-23-2/h8-9H,3-7,10H2,1-2H3,(H2,18,19,21,22)
InChIKeyIVCRTCHZHQFWNE-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.36
Rot. Bonds5

About 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 37383582) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID37383582
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCc2cc(C)cc(F)c21
InChIInChI=1S/C16H22FN3O3/c1-11-8-12-4-3-6-20(15(12)13(17)9-11)10-14(21)19-16(22)18-5-7-23-2/h8-9H,3-7,10H2,1-2H3,(H2,18,19,21,22)
InChIKeyIVCRTCHZHQFWNE-UHFFFAOYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383751
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 37383606
N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065906
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46444615
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 37383481
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383592
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 37383476
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43065877
N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34010060

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 37383582) is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCCc2cc(C)cc(F)c21.
What is the InChIKey of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is IVCRTCHZHQFWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-11-8-12-4-3-6-20(15(12)13(17)9-11)10-14(21)19-16(22)18-5-7-23-2/h8-9H,3-7,10H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 37383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).