3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide

C21H23FN2O3 — CID 71806499

IUPAC3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
SMILESCOCC(=O)N1CCCc2ccc(NC(=O)CCc3ccccc3F)cc21
InChIInChI=1S/C21H23FN2O3/c1-27-14-21(26)24-12-4-6-16-8-10-17(13-19(16)24)23-20(25)11-9-15-5-2-3-7-18(15)22/h2-3,5,7-8,10,13H,4,6,9,11-12,14H2,1H3,(H,23,25)
InChIKeyBMSUYGPTMGPMMM-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.32
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide

3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide (PubChem CID 71806499) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
PubChem CID71806499
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
SMILESCOCC(=O)N1CCCc2ccc(NC(=O)CCc3ccccc3F)cc21
InChIInChI=1S/C21H23FN2O3/c1-27-14-21(26)24-12-4-6-16-8-10-17(13-19(16)24)23-20(25)11-9-15-5-2-3-7-18(15)22/h2-3,5,7-8,10,13H,4,6,9,11-12,14H2,1H3,(H,23,25)
InChIKeyBMSUYGPTMGPMMM-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835128
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
(3S)-5-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354721
3-(2-fluorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
CID 110623465
2,4-difluoro-N-[1-(2-methoxyacetyl)-2,3-dihydroindol-6-yl]benzamide
CID 142343952
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
CID 7517256
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide (CID 71806499) is 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide is COCC(=O)N1CCCc2ccc(NC(=O)CCc3ccccc3F)cc21.
What is the InChIKey of 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide?
The InChIKey is BMSUYGPTMGPMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-27-14-21(26)24-12-4-6-16-8-10-17(13-19(16)24)23-20(25)11-9-15-5-2-3-7-18(15)22/h2-3,5,7-8,10,13H,4,6,9,11-12,14H2,1H3,(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide?
3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide has a molecular weight of 370.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide is sourced from PubChem (CID 71806499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).