N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C23H17F3N2O2 — CID 55978757

IUPACN-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C23H17F3N2O2/c24-15-8-6-14(7-9-15)22(29)27-20-4-1-5-21-18(20)3-2-12-28(21)23(30)17-11-10-16(25)13-19(17)26/h1,4-11,13H,2-3,12H2,(H,27,29)
InChIKeyFYKQEXANVRGIFG-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.95
Rot. Bonds3

About N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 55978757) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID55978757
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C23H17F3N2O2/c24-15-8-6-14(7-9-15)22(29)27-20-4-1-5-21-18(20)3-2-12-28(21)23(30)17-11-10-16(25)13-19(17)26/h1,4-11,13H,2-3,12H2,(H,27,29)
InChIKeyFYKQEXANVRGIFG-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979296
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978374
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-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 55978757) is N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is O=C(Nc1cccc2c1CCCN2C(=O)c1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is FYKQEXANVRGIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-15-8-6-14(7-9-15)22(29)27-20-4-1-5-21-18(20)3-2-12-28(21)23(30)17-11-10-16(25)13-19(17)26/h1,4-11,13H,2-3,12H2,(H,27,29).
What are the key properties of N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 410.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 55978757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).