4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol

C16H27N3O — CID 64789193

IUPAC4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN1CCN(C)c2ccccc21
InChIInChI=1S/C16H27N3O/c1-3-9-17-14(13-20)8-10-19-12-11-18(2)15-6-4-5-7-16(15)19/h4-7,14,17,20H,3,8-13H2,1-2H3
InChIKeyWXLJRFONQOCWSA-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.69
Rot. Bonds7

About 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol

4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol (PubChem CID 64789193) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol
PubChem CID64789193
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN1CCN(C)c2ccccc21
InChIInChI=1S/C16H27N3O/c1-3-9-17-14(13-20)8-10-19-12-11-18(2)15-6-4-5-7-16(15)19/h4-7,14,17,20H,3,8-13H2,1-2H3
InChIKeyWXLJRFONQOCWSA-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol (CID 64789193) is 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol is CCCNC(CO)CCN1CCN(C)c2ccccc21.
What is the InChIKey of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol?
The InChIKey is WXLJRFONQOCWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-14(13-20)8-10-19-12-11-18(2)15-6-4-5-7-16(15)19/h4-7,14,17,20H,3,8-13H2,1-2H3.
What are the key properties of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol?
4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64789193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).