(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol

C12H18N2O — CID 115096618

IUPAC(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
SMILESCCN1c2cccc(CO)c2NCC1C
InChIInChI=1S/C12H18N2O/c1-3-14-9(2)7-13-12-10(8-15)5-4-6-11(12)14/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyRBSMNVLIUHYDAO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.82
Rot. Bonds2

About (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol

(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol (PubChem CID 115096618) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
PubChem CID115096618
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
SMILESCCN1c2cccc(CO)c2NCC1C
InChIInChI=1S/C12H18N2O/c1-3-14-9(2)7-13-12-10(8-15)5-4-6-11(12)14/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyRBSMNVLIUHYDAO-UHFFFAOYSA-N
XLogP1.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol?
The IUPAC name of (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol (CID 115096618) is (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol.
What is the SMILES notation for (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol?
The canonical SMILES for (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol is CCN1c2cccc(CO)c2NCC1C.
What is the InChIKey of (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol?
The InChIKey is RBSMNVLIUHYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-9(2)7-13-12-10(8-15)5-4-6-11(12)14/h4-6,9,13,15H,3,7-8H2,1-2H3.
What are the key properties of (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol?
(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol has a molecular weight of 206.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol is sourced from PubChem (CID 115096618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).