[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone

C22H17F2N3O — CID 171984661

IUPAC[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
SMILESCC1C/C(=N\c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccncc1
InChIInChI=1S/C22H17F2N3O/c1-14-12-20(26-18-5-2-16(23)3-6-18)19-13-17(24)4-7-21(19)27(14)22(28)15-8-10-25-11-9-15/h2-11,13-14H,12H2,1H3/b26-20+
InChIKeyFGFLBRJRYCCIQV-LHLOQNFPSA-N
MW377.39 g/mol
LogP4.92
Rot. Bonds2

About [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone

[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone (PubChem CID 171984661) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
PubChem CID171984661
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
SMILESCC1C/C(=N\c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccncc1
InChIInChI=1S/C22H17F2N3O/c1-14-12-20(26-18-5-2-16(23)3-6-18)19-13-17(24)4-7-21(19)27(14)22(28)15-8-10-25-11-9-15/h2-11,13-14H,12H2,1H3/b26-20+
InChIKeyFGFLBRJRYCCIQV-LHLOQNFPSA-N
XLogP4.92
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone (CID 171984661) is [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone is CC1C/C(=N\c2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccncc1.
What is the InChIKey of [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is FGFLBRJRYCCIQV-LHLOQNFPSA-N. The full InChI is InChI=1S/C22H17F2N3O/c1-14-12-20(26-18-5-2-16(23)3-6-18)19-13-17(24)4-7-21(19)27(14)22(28)15-8-10-25-11-9-15/h2-11,13-14H,12H2,1H3/b26-20+.
What are the key properties of [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone?
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 377.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 171984661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).