ethane;2-methylquinazoline

C15H26N2 — CID 176988292

IUPACethane;2-methylquinazoline
SMILESCC.CC.CC.Cc1ncc2ccccc2n1
InChIInChI=1S/C9H8N2.3C2H6/c1-7-10-6-8-4-2-3-5-9(8)11-7;3*1-2/h2-6H,1H3;3*1-2H3
InChIKeyFVJPPULSAFKWKS-UHFFFAOYSA-N
MW234.39 g/mol
LogP5.02
Rot. Bonds

About ethane;2-methylquinazoline

ethane;2-methylquinazoline (PubChem CID 176988292) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;2-methylquinazoline.

Molecular Properties

Compound Nameethane;2-methylquinazoline
PubChem CID176988292
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;2-methylquinazoline
SMILESCC.CC.CC.Cc1ncc2ccccc2n1
InChIInChI=1S/C9H8N2.3C2H6/c1-7-10-6-8-4-2-3-5-9(8)11-7;3*1-2/h2-6H,1H3;3*1-2H3
InChIKeyFVJPPULSAFKWKS-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylquinazoline?
The IUPAC name of ethane;2-methylquinazoline (CID 176988292) is ethane;2-methylquinazoline.
What is the SMILES notation for ethane;2-methylquinazoline?
The canonical SMILES for ethane;2-methylquinazoline is CC.CC.CC.Cc1ncc2ccccc2n1.
What is the InChIKey of ethane;2-methylquinazoline?
The InChIKey is FVJPPULSAFKWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.3C2H6/c1-7-10-6-8-4-2-3-5-9(8)11-7;3*1-2/h2-6H,1H3;3*1-2H3.
What are the key properties of ethane;2-methylquinazoline?
ethane;2-methylquinazoline has a molecular weight of 234.39 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylquinazoline is sourced from PubChem (CID 176988292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).