N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide

C30H24F2N2O2 — CID 118870759

IUPACN-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide
SMILESC[C@@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1
InChIInChI=1S/C30H24F2N2O2/c1-20-18-28(34(25-15-12-23(31)13-16-25)30(36)22-10-6-3-7-11-22)26-19-24(32)14-17-27(26)33(20)29(35)21-8-4-2-5-9-21/h2-17,19-20,28H,18H2,1H3/t20-,28-/m1/s1
InChIKeyQLQNPLXITUHNQP-PIIWDFAUSA-N
MW482.53 g/mol
LogP6.79
Rot. Bonds4

About N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide

N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide (PubChem CID 118870759) has the molecular formula C30H24F2N2O2 and a molecular weight of 482.53 g/mol. Its IUPAC name is N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide
PubChem CID118870759
Molecular FormulaC30H24F2N2O2
Molecular Weight482.53 g/mol
Exact Mass482.18
IUPAC NameN-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide
SMILESC[C@@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1
InChIInChI=1S/C30H24F2N2O2/c1-20-18-28(34(25-15-12-23(31)13-16-25)30(36)22-10-6-3-7-11-22)26-19-24(32)14-17-27(26)33(20)29(35)21-8-4-2-5-9-21/h2-17,19-20,28H,18H2,1H3/t20-,28-/m1/s1
InChIKeyQLQNPLXITUHNQP-PIIWDFAUSA-N
XLogP6.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide with MolForge

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Related Compounds

N-[(2S,4R)-1-benzoyl-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430884
4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 6555961
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721142
N-[(2R,4S)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721140
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 58859828
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methyl-N-phenylbutanamide
CID 58859900
N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 21093065
N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
CID 21093154
N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide (CID 118870759) is N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide is C[C@@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1.
What is the InChIKey of N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide?
The InChIKey is QLQNPLXITUHNQP-PIIWDFAUSA-N. The full InChI is InChI=1S/C30H24F2N2O2/c1-20-18-28(34(25-15-12-23(31)13-16-25)30(36)22-10-6-3-7-11-22)26-19-24(32)14-17-27(26)33(20)29(35)21-8-4-2-5-9-21/h2-17,19-20,28H,18H2,1H3/t20-,28-/m1/s1.
What are the key properties of N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide?
N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide has a molecular weight of 482.53 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 118870759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).