3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline

C19H24N2O — CID 82156784

IUPAC3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline
SMILESCC1(C)CNc2ccccc2N1CCCOc1ccccc1
InChIInChI=1S/C19H24N2O/c1-19(2)15-20-17-11-6-7-12-18(17)21(19)13-8-14-22-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3
InChIKeyABBSSHMBPQWNHV-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.17
Rot. Bonds5

About 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline

3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline (PubChem CID 82156784) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline
PubChem CID82156784
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline
SMILESCC1(C)CNc2ccccc2N1CCCOc1ccccc1
InChIInChI=1S/C19H24N2O/c1-19(2)15-20-17-11-6-7-12-18(17)21(19)13-8-14-22-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3
InChIKeyABBSSHMBPQWNHV-UHFFFAOYSA-N
XLogP4.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.17
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 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline?
The IUPAC name of 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline (CID 82156784) is 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline.
What is the SMILES notation for 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline?
The canonical SMILES for 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline is CC1(C)CNc2ccccc2N1CCCOc1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline?
The InChIKey is ABBSSHMBPQWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2)15-20-17-11-6-7-12-18(17)21(19)13-8-14-22-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline?
3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline has a molecular weight of 296.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline is sourced from PubChem (CID 82156784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).