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

C16H14BrFN2O — CID 82712007

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C16H14BrFN2O/c17-13-9-10(18)6-7-11(13)16(21)20-8-2-3-12-14(19)4-1-5-15(12)20/h1,4-7,9H,2-3,8,19H2
InChIKeyYSRIMVJIVLPPHF-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.76
Rot. Bonds1

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone (PubChem CID 82712007) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
PubChem CID82712007
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C16H14BrFN2O/c17-13-9-10(18)6-7-11(13)16(21)20-8-2-3-12-14(19)4-1-5-15(12)20/h1,4-7,9H,2-3,8,19H2
InChIKeyYSRIMVJIVLPPHF-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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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-fluorophenyl)methanone
CID 82711987
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107013248
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone
CID 115750774
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 82706431

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone (CID 82712007) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone is Nc1cccc2c1CCCN2C(=O)c1ccc(F)cc1Br.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone?
The InChIKey is YSRIMVJIVLPPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-13-9-10(18)6-7-11(13)16(21)20-8-2-3-12-14(19)4-1-5-15(12)20/h1,4-7,9H,2-3,8,19H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-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 (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone is sourced from PubChem (CID 82712007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).