3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one

C19H25FN2O2 — CID 90058175

IUPAC3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCCC[C@@H]3C[C@@H]3CCF)c(=O)[nH]c2c1
InChIInChI=1S/C19H25FN2O2/c1-24-15-7-8-16-18(12-15)22-19(23)17(21-16)6-4-2-3-5-13-11-14(13)9-10-20/h7-8,12-14H,2-6,9-11H2,1H3,(H,22,23)/t13-,14+/m1/s1
InChIKeyPWKLPMXWEMSYQW-KGLIPLIRSA-N
MW332.42 g/mol
LogP4.03
Rot. Bonds9

About 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one

3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one (PubChem CID 90058175) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
PubChem CID90058175
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCCC[C@@H]3C[C@@H]3CCF)c(=O)[nH]c2c1
InChIInChI=1S/C19H25FN2O2/c1-24-15-7-8-16-18(12-15)22-19(23)17(21-16)6-4-2-3-5-13-11-14(13)9-10-20/h7-8,12-14H,2-6,9-11H2,1H3,(H,22,23)/t13-,14+/m1/s1
InChIKeyPWKLPMXWEMSYQW-KGLIPLIRSA-N
XLogP4.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one (CID 90058175) is 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(CCCCC[C@@H]3C[C@@H]3CCF)c(=O)[nH]c2c1.
What is the InChIKey of 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is PWKLPMXWEMSYQW-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-24-15-7-8-16-18(12-15)22-19(23)17(21-16)6-4-2-3-5-13-11-14(13)9-10-20/h7-8,12-14H,2-6,9-11H2,1H3,(H,22,23)/t13-,14+/m1/s1.
What are the key properties of 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 332.42 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2R)-2-(2-fluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90058175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).