(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone

C16H14BrFN2O — CID 114558361

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Br
InChIInChI=1S/C16H14BrFN2O/c17-12-4-1-5-13(18)15(12)16(21)20-8-2-3-10-9-11(19)6-7-14(10)20/h1,4-7,9H,2-3,8,19H2
InChIKeySFUYZQNIJHDGPA-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.76
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone (PubChem CID 114558361) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
PubChem CID114558361
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Br
InChIInChI=1S/C16H14BrFN2O/c17-12-4-1-5-13(18)15(12)16(21)20-8-2-3-10-9-11(19)6-7-14(10)20/h1,4-7,9H,2-3,8,19H2
InChIKeySFUYZQNIJHDGPA-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone (CID 114558361) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone is Nc1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Br.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
The InChIKey is SFUYZQNIJHDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-12-4-1-5-13(18)15(12)16(21)20-8-2-3-10-9-11(19)6-7-14(10)20/h1,4-7,9H,2-3,8,19H2.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone has a molecular weight of 349.20 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone is sourced from PubChem (CID 114558361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).