[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone

C23H13F6N3O3 — CID 134101834

IUPAC[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(F)c1)N1c2ccc(F)cc2/C(=N/c2ccc(F)cc2)CC1C(F)(F)F
InChIInChI=1S/C23H13F6N3O3/c24-13-2-5-15(6-3-13)30-18-11-21(23(27,28)29)31(19-8-4-14(25)10-16(18)19)22(33)12-1-7-20(32(34)35)17(26)9-12/h1-10,21H,11H2/b30-18+
InChIKeyHCIJYUBXLLHJOI-UXHLAJHPSA-N
MW493.36 g/mol
LogP6.11
Rot. Bonds3

About [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone

[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone (PubChem CID 134101834) has the molecular formula C23H13F6N3O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone.

Molecular Properties

Compound Name[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone
PubChem CID134101834
Molecular FormulaC23H13F6N3O3
Molecular Weight493.36 g/mol
Exact Mass493.09
IUPAC Name[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(F)c1)N1c2ccc(F)cc2/C(=N/c2ccc(F)cc2)CC1C(F)(F)F
InChIInChI=1S/C23H13F6N3O3/c24-13-2-5-15(6-3-13)30-18-11-21(23(27,28)29)31(19-8-4-14(25)10-16(18)19)22(33)12-1-7-20(32(34)35)17(26)9-12/h1-10,21H,11H2/b30-18+
InChIKeyHCIJYUBXLLHJOI-UXHLAJHPSA-N
XLogP6.11
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.36
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-1-(3-fluoro-4-nitrobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134101831
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134125542
(3-fluoro-4-nitrophenyl)-piperazin-1-ylmethanone
CID 86004677
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
3-fluoro-4-nitrobenzamide
CID 11423967
(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
CID 62682342
3-fluoro-4-nitrobenzamide;urea
CID 162262537
(3-fluoro-4-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62682000
(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
CID 134090751
(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63762184
(4-bromophenyl)-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]methanone
CID 2914398

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone?
The IUPAC name of [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone (CID 134101834) is [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone.
What is the SMILES notation for [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone?
The canonical SMILES for [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])c(F)c1)N1c2ccc(F)cc2/C(=N/c2ccc(F)cc2)CC1C(F)(F)F.
What is the InChIKey of [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone?
The InChIKey is HCIJYUBXLLHJOI-UXHLAJHPSA-N. The full InChI is InChI=1S/C23H13F6N3O3/c24-13-2-5-15(6-3-13)30-18-11-21(23(27,28)29)31(19-8-4-14(25)10-16(18)19)22(33)12-1-7-20(32(34)35)17(26)9-12/h1-10,21H,11H2/b30-18+.
What are the key properties of [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone?
[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone has a molecular weight of 493.36 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone is sourced from PubChem (CID 134101834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).