N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide

C16H12FN3O — CID 110701354

IUPACN-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc2nccnc12
InChIInChI=1S/C16H12FN3O/c17-12-6-4-11(5-7-12)10-20-16(21)13-2-1-3-14-15(13)19-9-8-18-14/h1-9H,10H2,(H,20,21)
InChIKeyXOZPQKVEEXFDRT-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.70
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide

N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide (PubChem CID 110701354) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
PubChem CID110701354
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc2nccnc12
InChIInChI=1S/C16H12FN3O/c17-12-6-4-11(5-7-12)10-20-16(21)13-2-1-3-14-15(13)19-9-8-18-14/h1-9H,10H2,(H,20,21)
InChIKeyXOZPQKVEEXFDRT-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
CID 104580556
N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 166244848
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide
CID 74245074
5-[2-[(4-fluorophenyl)methylcarbamoyl]-5-(iodomethyl)-N-sulfinatoanilino]quinoxaline
CID 91552019
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide (CID 110701354) is N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cccc2nccnc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide?
The InChIKey is XOZPQKVEEXFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-6-4-11(5-7-12)10-20-16(21)13-2-1-3-14-15(13)19-9-8-18-14/h1-9H,10H2,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide?
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 110701354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).