(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H15FN2O — CID 116547254

IUPAC(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNc1ccc(C(=O)C2CCCc3cccnc32)cc1F
InChIInChI=1S/C16H15FN2O/c17-13-9-11(6-7-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h2,4,6-9,12H,1,3,5,18H2
InChIKeyZIVMYZBXNRGGQS-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.11
Rot. Bonds2

About (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 116547254) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID116547254
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNc1ccc(C(=O)C2CCCc3cccnc32)cc1F
InChIInChI=1S/C16H15FN2O/c17-13-9-11(6-7-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h2,4,6-9,12H,1,3,5,18H2
InChIKeyZIVMYZBXNRGGQS-UHFFFAOYSA-N
XLogP3.11
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116590073
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
1,3-dihydro-2-benzofuran-5-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783689
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 116547254) is (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is Nc1ccc(C(=O)C2CCCc3cccnc32)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is ZIVMYZBXNRGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-9-11(6-7-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h2,4,6-9,12H,1,3,5,18H2.
What are the key properties of (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 116547254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).