(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone

C23H17Cl2FN2O — CID 134090751

IUPAC(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
SMILESCC1C/C(=N\c2ccc(F)cc2)c2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H17Cl2FN2O/c1-14-10-21(27-19-8-6-18(26)7-9-19)20-4-2-3-5-22(20)28(14)23(29)15-11-16(24)13-17(25)12-15/h2-9,11-14H,10H2,1H3/b27-21+
InChIKeyVZUKJGCAVQMEJT-SZXQPVLSSA-N
MW427.31 g/mol
LogP6.69
Rot. Bonds2

About (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone

(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone (PubChem CID 134090751) has the molecular formula C23H17Cl2FN2O and a molecular weight of 427.31 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
PubChem CID134090751
Molecular FormulaC23H17Cl2FN2O
Molecular Weight427.31 g/mol
Exact Mass426.07
IUPAC Name(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
SMILESCC1C/C(=N\c2ccc(F)cc2)c2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H17Cl2FN2O/c1-14-10-21(27-19-8-6-18(26)7-9-19)20-4-2-3-5-22(20)28(14)23(29)15-11-16(24)13-17(25)12-15/h2-9,11-14H,10H2,1H3/b27-21+
InChIKeyVZUKJGCAVQMEJT-SZXQPVLSSA-N
XLogP6.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone
CID 134125547
(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone
CID 134096239
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
CID 171984661
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134094154
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134125548
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone (CID 134090751) is (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone is CC1C/C(=N\c2ccc(F)cc2)c2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone?
The InChIKey is VZUKJGCAVQMEJT-SZXQPVLSSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O/c1-14-10-21(27-19-8-6-18(26)7-9-19)20-4-2-3-5-22(20)28(14)23(29)15-11-16(24)13-17(25)12-15/h2-9,11-14H,10H2,1H3/b27-21+.
What are the key properties of (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone has a molecular weight of 427.31 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone is sourced from PubChem (CID 134090751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).