(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

C15H13FN2O — CID 57287537

IUPAC(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESO=C(c1ccccc1F)c1cccc2c1NCCN2
InChIInChI=1S/C15H13FN2O/c16-12-6-2-1-4-10(12)15(19)11-5-3-7-13-14(11)18-9-8-17-13/h1-7,17-18H,8-9H2
InChIKeyAXPNLSFFZGMODW-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.89
Rot. Bonds2

About (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (PubChem CID 57287537) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
PubChem CID57287537
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESO=C(c1ccccc1F)c1cccc2c1NCCN2
InChIInChI=1S/C15H13FN2O/c16-12-6-2-1-4-10(12)15(19)11-5-3-7-13-14(11)18-9-8-17-13/h1-7,17-18H,8-9H2
InChIKeyAXPNLSFFZGMODW-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 106669665
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598128
N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614392
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614434
2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
CID 104615253
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614558
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (CID 57287537) is (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is O=C(c1ccccc1F)c1cccc2c1NCCN2.
What is the InChIKey of (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The InChIKey is AXPNLSFFZGMODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-12-6-2-1-4-10(12)15(19)11-5-3-7-13-14(11)18-9-8-17-13/h1-7,17-18H,8-9H2.
What are the key properties of (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone has a molecular weight of 256.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is sourced from PubChem (CID 57287537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).