2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline

C12H16N2 — CID 45069327

IUPAC2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline
SMILESCC1=C(C(C)C)Nc2ccccc2N1
InChIInChI=1S/C12H16N2/c1-8(2)12-9(3)13-10-6-4-5-7-11(10)14-12/h4-8,13-14H,1-3H3
InChIKeySSFANURZXOODRR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.41
Rot. Bonds1

About 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline

2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline (PubChem CID 45069327) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline
PubChem CID45069327
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline
SMILESCC1=C(C(C)C)Nc2ccccc2N1
InChIInChI=1S/C12H16N2/c1-8(2)12-9(3)13-10-6-4-5-7-11(10)14-12/h4-8,13-14H,1-3H3
InChIKeySSFANURZXOODRR-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline?
The IUPAC name of 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline (CID 45069327) is 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline.
What is the SMILES notation for 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline?
The canonical SMILES for 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline is CC1=C(C(C)C)Nc2ccccc2N1.
What is the InChIKey of 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline?
The InChIKey is SSFANURZXOODRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)12-9(3)13-10-6-4-5-7-11(10)14-12/h4-8,13-14H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline?
2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline has a molecular weight of 188.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-1,4-dihydroquinoxaline is sourced from PubChem (CID 45069327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).