(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol

C10H14N2O — CID 115096326

IUPAC(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol
SMILESCC1CNc2ccc(CO)cc2N1
InChIInChI=1S/C10H14N2O/c1-7-5-11-9-3-2-8(6-13)4-10(9)12-7/h2-4,7,11-13H,5-6H2,1H3
InChIKeyAHVQFRHEQMSSOY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.40
Rot. Bonds1

About (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol

(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol (PubChem CID 115096326) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol
PubChem CID115096326
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol
SMILESCC1CNc2ccc(CO)cc2N1
InChIInChI=1S/C10H14N2O/c1-7-5-11-9-3-2-8(6-13)4-10(9)12-7/h2-4,7,11-13H,5-6H2,1H3
InChIKeyAHVQFRHEQMSSOY-UHFFFAOYSA-N
XLogP1.40
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol?
The IUPAC name of (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol (CID 115096326) is (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol.
What is the SMILES notation for (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol?
The canonical SMILES for (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol is CC1CNc2ccc(CO)cc2N1.
What is the InChIKey of (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol?
The InChIKey is AHVQFRHEQMSSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-5-11-9-3-2-8(6-13)4-10(9)12-7/h2-4,7,11-13H,5-6H2,1H3.
What are the key properties of (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol?
(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol has a molecular weight of 178.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol is sourced from PubChem (CID 115096326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).