N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide

C19H18FN3O — CID 71729458

IUPACN-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide
SMILESCCCCNC(=O)c1nc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-2-3-12-21-19(24)18-17(13-8-10-14(20)11-9-13)22-15-6-4-5-7-16(15)23-18/h4-11H,2-3,12H2,1H3,(H,21,24)
InChIKeyTZDSNNRCUZANRQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.97
Rot. Bonds5

About N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide

N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide (PubChem CID 71729458) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide
PubChem CID71729458
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide
SMILESCCCCNC(=O)c1nc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-2-3-12-21-19(24)18-17(13-8-10-14(20)11-9-13)22-15-6-4-5-7-16(15)23-18/h4-11H,2-3,12H2,1H3,(H,21,24)
InChIKeyTZDSNNRCUZANRQ-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide (CID 71729458) is N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide is CCCCNC(=O)c1nc2ccccc2nc1-c1ccc(F)cc1.
What is the InChIKey of N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide?
The InChIKey is TZDSNNRCUZANRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-3-12-21-19(24)18-17(13-8-10-14(20)11-9-13)22-15-6-4-5-7-16(15)23-18/h4-11H,2-3,12H2,1H3,(H,21,24).
What are the key properties of N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide?
N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-fluorophenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 71729458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).