ethane;5-methylidene-7,8-dihydro-6H-quinazoline

C13H22N2 — CID 143340702

IUPACethane;5-methylidene-7,8-dihydro-6H-quinazoline
SMILESC=C1CCCc2ncncc21.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-7-3-2-4-9-8(7)5-10-6-11-9;2*1-2/h5-6H,1-4H2;2*1-2H3
InChIKeyTWEJLEICKNCMAU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.88
Rot. Bonds

About ethane;5-methylidene-7,8-dihydro-6H-quinazoline

ethane;5-methylidene-7,8-dihydro-6H-quinazoline (PubChem CID 143340702) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;5-methylidene-7,8-dihydro-6H-quinazoline.

Molecular Properties

Compound Nameethane;5-methylidene-7,8-dihydro-6H-quinazoline
PubChem CID143340702
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;5-methylidene-7,8-dihydro-6H-quinazoline
SMILESC=C1CCCc2ncncc21.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-7-3-2-4-9-8(7)5-10-6-11-9;2*1-2/h5-6H,1-4H2;2*1-2H3
InChIKeyTWEJLEICKNCMAU-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylidene-7,8-dihydro-6H-quinazoline?
The IUPAC name of ethane;5-methylidene-7,8-dihydro-6H-quinazoline (CID 143340702) is ethane;5-methylidene-7,8-dihydro-6H-quinazoline.
What is the SMILES notation for ethane;5-methylidene-7,8-dihydro-6H-quinazoline?
The canonical SMILES for ethane;5-methylidene-7,8-dihydro-6H-quinazoline is C=C1CCCc2ncncc21.CC.CC.
What is the InChIKey of ethane;5-methylidene-7,8-dihydro-6H-quinazoline?
The InChIKey is TWEJLEICKNCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c1-7-3-2-4-9-8(7)5-10-6-11-9;2*1-2/h5-6H,1-4H2;2*1-2H3.
What are the key properties of ethane;5-methylidene-7,8-dihydro-6H-quinazoline?
ethane;5-methylidene-7,8-dihydro-6H-quinazoline has a molecular weight of 206.33 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylidene-7,8-dihydro-6H-quinazoline is sourced from PubChem (CID 143340702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).