7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one

C15H11BrFNO — CID 59375138

IUPAC7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cc(Br)ccc2CCN1c1ccc(F)cc1
InChIInChI=1S/C15H11BrFNO/c16-11-2-1-10-7-8-18(15(19)14(10)9-11)13-5-3-12(17)4-6-13/h1-6,9H,7-8H2
InChIKeyAMLYMYVDUCZRSM-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.79
Rot. Bonds1

About 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one

7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 59375138) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one
PubChem CID59375138
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cc(Br)ccc2CCN1c1ccc(F)cc1
InChIInChI=1S/C15H11BrFNO/c16-11-2-1-10-7-8-18(15(19)14(10)9-11)13-5-3-12(17)4-6-13/h1-6,9H,7-8H2
InChIKeyAMLYMYVDUCZRSM-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one 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-(2-Fluorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 772045
4-bromo-N-ethyl-N-phenylbenzamide
CID 838389
1-{4-[4-(4-Bromobenzoyl)piperazin-1-yl]-3-fluorophenyl}butan-1-one
CID 613159
1-(3-Bromobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 789110
1-[4-[4-(4-Bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 1239154
1-{4-[4-(4-Bromobenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one
CID 1282870
1-[1-(4-Bromo-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969534
2-Bromo-6(5h)-phenanthridinone
CID 185610
1-[(4-Bromophenyl)acetyl]-4-(4-fluorophenyl)piperazine
CID 1212246
N-(1-benzylpiperidin-4-yl)-4-bromo-N-phenylbenzamide
CID 44319017
(4-bromophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 732401
3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone
CID 879640

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one (CID 59375138) is 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one is O=C1c2cc(Br)ccc2CCN1c1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is AMLYMYVDUCZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-11-2-1-10-7-8-18(15(19)14(10)9-11)13-5-3-12(17)4-6-13/h1-6,9H,7-8H2.
What are the key properties of 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 320.16 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 59375138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).