7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide

C18H16FN3O2 — CID 51086110

IUPAC7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NOCc3ccccc3)c2nc1C
InChIInChI=1S/C18H16FN3O2/c1-11-12(2)21-17-15(8-14(19)9-16(17)20-11)18(23)22-24-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyLUVNYIUZUHYTQF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.25
Rot. Bonds4

About 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide (PubChem CID 51086110) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide
PubChem CID51086110
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NOCc3ccccc3)c2nc1C
InChIInChI=1S/C18H16FN3O2/c1-11-12(2)21-17-15(8-14(19)9-16(17)20-11)18(23)22-24-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyLUVNYIUZUHYTQF-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
CID 55851954
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
CID 55823828
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
CID 55823334
7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 112841648
3-bromo-2-fluoro-N-phenylmethoxybenzamide
CID 106544153
4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide
CID 32581114

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide (CID 51086110) is 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)NOCc3ccccc3)c2nc1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide?
The InChIKey is LUVNYIUZUHYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-12(2)21-17-15(8-14(19)9-16(17)20-11)18(23)22-24-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide?
7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide is sourced from PubChem (CID 51086110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).