4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

C24H18FN3O4 — CID 55979296

IUPAC4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cc(-c2ccco2)on1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O4/c25-16-10-8-15(9-11-16)23(29)26-18-5-1-6-20-17(18)4-2-12-28(20)24(30)19-14-22(32-27-19)21-7-3-13-31-21/h1,3,5-11,13-14H,2,4,12H2,(H,26,29)
InChIKeyBBYKMXGBVOLMFM-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.92
Rot. Bonds4

About 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (PubChem CID 55979296) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
PubChem CID55979296
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cc(-c2ccco2)on1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O4/c25-16-10-8-15(9-11-16)23(29)26-18-5-1-6-20-17(18)4-2-12-28(20)24(30)19-14-22(32-27-19)21-7-3-13-31-21/h1,3,5-11,13-14H,2,4,12H2,(H,26,29)
InChIKeyBBYKMXGBVOLMFM-UHFFFAOYSA-N
XLogP4.92
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978374
N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55977869
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548756
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
N-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548513

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (CID 55979296) is 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is O=C(Nc1cccc2c1CCCN2C(=O)c1cc(-c2ccco2)on1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The InChIKey is BBYKMXGBVOLMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4/c25-16-10-8-15(9-11-16)23(29)26-18-5-1-6-20-17(18)4-2-12-28(20)24(30)19-14-22(32-27-19)21-7-3-13-31-21/h1,3,5-11,13-14H,2,4,12H2,(H,26,29).
What are the key properties of 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide has a molecular weight of 431.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is sourced from PubChem (CID 55979296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).