2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one

C15H19ClFNO — CID 133219812

IUPAC2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one
SMILESCC(Cl)C(=O)N1c2cc(F)ccc2C(C)CC1(C)C
InChIInChI=1S/C15H19ClFNO/c1-9-8-15(3,4)18(14(19)10(2)16)13-7-11(17)5-6-12(9)13/h5-7,9-10H,8H2,1-4H3
InChIKeyWLIYNAIFMAIXNW-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.07
Rot. Bonds1

About 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one

2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one (PubChem CID 133219812) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one
PubChem CID133219812
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one
SMILESCC(Cl)C(=O)N1c2cc(F)ccc2C(C)CC1(C)C
InChIInChI=1S/C15H19ClFNO/c1-9-8-15(3,4)18(14(19)10(2)16)13-7-11(17)5-6-12(9)13/h5-7,9-10H,8H2,1-4H3
InChIKeyWLIYNAIFMAIXNW-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one with MolForge

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Related Compounds

2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
CID 133219815
methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
CID 125044410
[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
CID 19690328
1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one
CID 135062760
1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 91670616
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
CID 125047320
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
CID 23368968
(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 97297931
phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 903985
7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
CID 142301736
(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
CID 125044444
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one (CID 133219812) is 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one is CC(Cl)C(=O)N1c2cc(F)ccc2C(C)CC1(C)C.
What is the InChIKey of 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one?
The InChIKey is WLIYNAIFMAIXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-9-8-15(3,4)18(14(19)10(2)16)13-7-11(17)5-6-12(9)13/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one?
2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one has a molecular weight of 283.77 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one is sourced from PubChem (CID 133219812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).