1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol

C16H27N3O — CID 115475357

IUPAC1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CN1CCN(C)c2ccccc21
InChIInChI=1S/C16H27N3O/c1-13(2)10-17-11-14(20)12-19-9-8-18(3)15-6-4-5-7-16(15)19/h4-7,13-14,17,20H,8-12H2,1-3H3
InChIKeyFTONRXPMLDFHFN-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.55
Rot. Bonds6

About 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol

1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115475357) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
PubChem CID115475357
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CN1CCN(C)c2ccccc21
InChIInChI=1S/C16H27N3O/c1-13(2)10-17-11-14(20)12-19-9-8-18(3)15-6-4-5-7-16(15)19/h4-7,13-14,17,20H,8-12H2,1-3H3
InChIKeyFTONRXPMLDFHFN-UHFFFAOYSA-N
XLogP1.55
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol (CID 115475357) is 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)CN1CCN(C)c2ccccc21.
What is the InChIKey of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is FTONRXPMLDFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)10-17-11-14(20)12-19-9-8-18(3)15-6-4-5-7-16(15)19/h4-7,13-14,17,20H,8-12H2,1-3H3.
What are the key properties of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115475357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).