7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide

C20H14FN3O — CID 112845243

IUPAC7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cc(F)cc2nccnc12
InChIInChI=1S/C20H14FN3O/c21-15-10-17(19-18(11-15)22-8-9-23-19)20(25)24-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-11H,12H2,(H,24,25)
InChIKeyAUXXEBDHRPTMKC-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.85
Rot. Bonds3

About 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide

7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide (PubChem CID 112845243) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide
PubChem CID112845243
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cc(F)cc2nccnc12
InChIInChI=1S/C20H14FN3O/c21-15-10-17(19-18(11-15)22-8-9-23-19)20(25)24-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-11H,12H2,(H,24,25)
InChIKeyAUXXEBDHRPTMKC-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 112844532
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide
CID 75500953
7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
CID 55823334
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 55978468
N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide
CID 22398726
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide (CID 112845243) is 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide is O=C(NCc1cccc2ccccc12)c1cc(F)cc2nccnc12.
What is the InChIKey of 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide?
The InChIKey is AUXXEBDHRPTMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-15-10-17(19-18(11-15)22-8-9-23-19)20(25)24-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-11H,12H2,(H,24,25).
What are the key properties of 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide?
7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 112845243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).