propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

C22H24FN3O2 — CID 70661315

IUPACpropyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C22H24FN3O2/c1-5-12-28-22(27)16-8-11-18-19(13-16)25-21(26(4)14(2)3)20(24-18)15-6-9-17(23)10-7-15/h6-11,13-14H,5,12H2,1-4H3
InChIKeyIBAGMIHSKRVOSY-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.85
Rot. Bonds6

About propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (PubChem CID 70661315) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namepropyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
PubChem CID70661315
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Namepropyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C22H24FN3O2/c1-5-12-28-22(27)16-8-11-18-19(13-16)25-21(26(4)14(2)3)20(24-18)15-6-9-17(23)10-7-15/h6-11,13-14H,5,12H2,1-4H3
InChIKeyIBAGMIHSKRVOSY-UHFFFAOYSA-N
XLogP4.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The IUPAC name of propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (CID 70661315) is propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.
What is the SMILES notation for propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The canonical SMILES for propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is CCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.
What is the InChIKey of propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The InChIKey is IBAGMIHSKRVOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-5-12-28-22(27)16-8-11-18-19(13-16)25-21(26(4)14(2)3)20(24-18)15-6-9-17(23)10-7-15/h6-11,13-14H,5,12H2,1-4H3.
What are the key properties of propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 70661315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).