1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline

C16H15BrFN — CID 60644856

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESFc1cc(Br)ccc1CN1CCCc2ccccc21
InChIInChI=1S/C16H15BrFN/c17-14-8-7-13(15(18)10-14)11-19-9-3-5-12-4-1-2-6-16(12)19/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyGENTVKFIBXYTCQ-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.54
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline

1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 60644856) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID60644856
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESFc1cc(Br)ccc1CN1CCCc2ccccc21
InChIInChI=1S/C16H15BrFN/c17-14-8-7-13(15(18)10-14)11-19-9-3-5-12-4-1-2-6-16(12)19/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyGENTVKFIBXYTCQ-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline 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

1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
CID 55027487
1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 63462245
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-fluorobenzenecarbothioamide
CID 63293058
1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662285
7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 58477873
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 117219224
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
3-(2,3-dihydroindol-1-ylmethyl)-4-fluorobenzoic acid
CID 63074922
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
CID 112616048

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline (CID 60644856) is 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline is Fc1cc(Br)ccc1CN1CCCc2ccccc21.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is GENTVKFIBXYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-8-7-13(15(18)10-14)11-19-9-3-5-12-4-1-2-6-16(12)19/h1-2,4,6-8,10H,3,5,9,11H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 320.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 60644856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).