3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol

C24H25FN2O — CID 129210416

IUPAC3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol
SMILESC=C(C)c1ccc2nc(-c3ccccc3)c(CCCC(C)(F)C(=C)O)nc2c1
InChIInChI=1S/C24H25FN2O/c1-16(2)19-12-13-20-22(15-19)26-21(11-8-14-24(4,25)17(3)28)23(27-20)18-9-6-5-7-10-18/h5-7,9-10,12-13,15,28H,1,3,8,11,14H2,2,4H3
InChIKeyIWJXYNRXMICQPC-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.45
Rot. Bonds7

About 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol

3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol (PubChem CID 129210416) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol.

Molecular Properties

Compound Name3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol
PubChem CID129210416
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol
SMILESC=C(C)c1ccc2nc(-c3ccccc3)c(CCCC(C)(F)C(=C)O)nc2c1
InChIInChI=1S/C24H25FN2O/c1-16(2)19-12-13-20-22(15-19)26-21(11-8-14-24(4,25)17(3)28)23(27-20)18-9-6-5-7-10-18/h5-7,9-10,12-13,15,28H,1,3,8,11,14H2,2,4H3
InChIKeyIWJXYNRXMICQPC-UHFFFAOYSA-N
XLogP6.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline
CID 129210442
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline
CID 126659277
5-[3-phenyl-7-[[(1S)-1-phenylethyl]carbamoyl]quinoxalin-2-yl]pentanoic acid
CID 57410037
5-[6-[(3S)-3-(4-fluorophenyl)butanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 162230449
5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
CID 57410871
5-[7-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 57410153
5-[7-[(4-ethylphenyl)methylcarbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 57410625
5-[7-(benzylcarbamoyl)-3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid
CID 57410158
5-[7-[2-(4-fluorophenyl)ethylcarbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 67982176
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
5-[7-[amino(pyridin-2-ylmethyl)carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 129210465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol?
The IUPAC name of 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol (CID 129210416) is 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol.
What is the SMILES notation for 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol?
The canonical SMILES for 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol is C=C(C)c1ccc2nc(-c3ccccc3)c(CCCC(C)(F)C(=C)O)nc2c1.
What is the InChIKey of 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol?
The InChIKey is IWJXYNRXMICQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-16(2)19-12-13-20-22(15-19)26-21(11-8-14-24(4,25)17(3)28)23(27-20)18-9-6-5-7-10-18/h5-7,9-10,12-13,15,28H,1,3,8,11,14H2,2,4H3.
What are the key properties of 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol?
3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol has a molecular weight of 376.48 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-6-(3-phenyl-7-prop-1-en-2-ylquinoxalin-2-yl)hex-1-en-2-ol is sourced from PubChem (CID 129210416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).