N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

C20H20FN3O2 — CID 50779892

IUPACN-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(F)c3)nc2cc1C
InChIInChI=1S/C20H20FN3O2/c1-11(2)26-20-18(19(25)22-15-7-5-6-14(21)10-15)23-16-8-12(3)13(4)9-17(16)24-20/h5-11H,1-4H3,(H,22,25)
InChIKeyBTQILJOZGNQBRK-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.43
Rot. Bonds4

About N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide (PubChem CID 50779892) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
PubChem CID50779892
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(F)c3)nc2cc1C
InChIInChI=1S/C20H20FN3O2/c1-11(2)26-20-18(19(25)22-15-7-5-6-14(21)10-15)23-16-8-12(3)13(4)9-17(16)24-20/h5-11H,1-4H3,(H,22,25)
InChIKeyBTQILJOZGNQBRK-UHFFFAOYSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide (CID 50779892) is N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide is Cc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(F)c3)nc2cc1C.
What is the InChIKey of N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The InChIKey is BTQILJOZGNQBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-11(2)26-20-18(19(25)22-15-7-5-6-14(21)10-15)23-16-8-12(3)13(4)9-17(16)24-20/h5-11H,1-4H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50779892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).