3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one

C19H24F2N2O2 — CID 90058168

IUPAC3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)CCCCC3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24F2N2O2/c1-25-14-9-10-15-16(12-14)23-18(24)17(22-15)19(20,21)11-5-4-8-13-6-2-3-7-13/h9-10,12-13H,2-8,11H2,1H3,(H,23,24)
InChIKeyFXAIFQNGFHZSEL-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.77
Rot. Bonds7

About 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one

3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one (PubChem CID 90058168) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
PubChem CID90058168
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)CCCCC3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24F2N2O2/c1-25-14-9-10-15-16(12-14)23-18(24)17(22-15)19(20,21)11-5-4-8-13-6-2-3-7-13/h9-10,12-13H,2-8,11H2,1H3,(H,23,24)
InChIKeyFXAIFQNGFHZSEL-UHFFFAOYSA-N
XLogP4.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one with MolForge

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Related Compounds

8-Methoxy-1-methyl-4-phenyl-1h-benzo[b][1,4]diazepin-2(3h)-one
CID 665106
3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide
CID 976262
8-Methoxy-4-phenyl-2,3-dihydro-1h-1,5-benzodiazepin-2-one
CID 4280965
6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one
CID 10540846
7-Methoxy-3-phenyl-2-quinoxalinol
CID 383935
2(1H)-Quinoxalinone, 6-methoxy-3-(trifluoromethyl)-
CID 491324
2(1H)-Quinoxalinone, 7-methoxy-3-(1-methylethyl)-
CID 491328
(1R,2S,5R)-N-[2-[[(2R)-2-aminopropanoyl]amino]-4-methoxyphenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 44137216
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]heptanamide
CID 154663664
2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy-
CID 3088397
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
3-(1,1-difluorobut-3-enyl)-7-methoxy-1H-quinoxalin-2-one
CID 118180485

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one (CID 90058168) is 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(C(F)(F)CCCCC3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is FXAIFQNGFHZSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-25-14-9-10-15-16(12-14)23-18(24)17(22-15)19(20,21)11-5-4-8-13-6-2-3-7-13/h9-10,12-13H,2-8,11H2,1H3,(H,23,24).
What are the key properties of 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 350.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90058168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).