(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone

C19H20FNO — CID 3102163

IUPAC(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
SMILESCC1CC(C)(C)N(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H20FNO/c1-13-12-19(2,3)21(17-11-7-5-8-14(13)17)18(22)15-9-4-6-10-16(15)20/h4-11,13H,12H2,1-3H3
InChIKeyWBLGVHNQIHHGLE-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.76
Rot. Bonds1

About (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone

(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone (PubChem CID 3102163) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
PubChem CID3102163
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
SMILESCC1CC(C)(C)N(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H20FNO/c1-13-12-19(2,3)21(17-11-7-5-8-14(13)17)18(22)15-9-4-6-10-16(15)20/h4-11,13H,12H2,1-3H3
InChIKeyWBLGVHNQIHHGLE-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)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

4-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butan-1-one
CID 132649789
(E)-3-phenyl-1-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]prop-2-en-1-one
CID 2384854
[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
CID 19690328
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
CID 23368968
(6-pyrazol-1-yl-2-pyridinyl)-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 97260504
(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 124889362
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
CID 20695985
N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide
CID 97260502
methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132649714
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
CID 3017456
[(4R)-7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-(2-methoxyphenyl)methanone
CID 95369808
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone (CID 3102163) is (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone is CC1CC(C)(C)N(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone?
The InChIKey is WBLGVHNQIHHGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-12-19(2,3)21(17-11-7-5-8-14(13)17)18(22)15-9-4-6-10-16(15)20/h4-11,13H,12H2,1-3H3.
What are the key properties of (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone?
(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone has a molecular weight of 297.37 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 3102163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).