3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one

C19H22F2N2O2 — CID 122576125

IUPAC3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)C3(CCCC4CC4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H22F2N2O2/c1-25-13-6-7-14-15(11-13)23-17(24)16(22-14)19(20,21)18(9-10-18)8-2-3-12-4-5-12/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24)
InChIKeyAHTFXHSKVICCDJ-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.38
Rot. Bonds7

About 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one

3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one (PubChem CID 122576125) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
PubChem CID122576125
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)C3(CCCC4CC4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H22F2N2O2/c1-25-13-6-7-14-15(11-13)23-17(24)16(22-14)19(20,21)18(9-10-18)8-2-3-12-4-5-12/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24)
InChIKeyAHTFXHSKVICCDJ-UHFFFAOYSA-N
XLogP4.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one (CID 122576125) is 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(C(F)(F)C3(CCCC4CC4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is AHTFXHSKVICCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-25-13-6-7-14-15(11-13)23-17(24)16(22-14)19(20,21)18(9-10-18)8-2-3-12-4-5-12/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24).
What are the key properties of 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one?
3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 348.39 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 122576125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).