(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

C17H14Cl2FNO — CID 873798

IUPAC(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2FNO/c1-10-2-3-11-8-13(20)5-7-16(11)21(10)17(22)12-4-6-14(18)15(19)9-12/h4-10H,2-3H2,1H3/t10-/m0/s1
InChIKeyPODJZOYJHVBOTL-JTQLQIEISA-N
MW338.21 g/mol
LogP5.11
Rot. Bonds1

About (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 873798) has the molecular formula C17H14Cl2FNO and a molecular weight of 338.21 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID873798
Molecular FormulaC17H14Cl2FNO
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2FNO/c1-10-2-3-11-8-13(20)5-7-16(11)21(10)17(22)12-4-6-14(18)15(19)9-12/h4-10H,2-3H2,1H3/t10-/m0/s1
InChIKeyPODJZOYJHVBOTL-JTQLQIEISA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.21
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 873798) is (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is PODJZOYJHVBOTL-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2FNO/c1-10-2-3-11-8-13(20)5-7-16(11)21(10)17(22)12-4-6-14(18)15(19)9-12/h4-10H,2-3H2,1H3/t10-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 338.21 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 873798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).