3,8a-dihydroquinazolin-3-ium;ethane

C10H15N2+ — CID 142336221

IUPAC3,8a-dihydroquinazolin-3-ium;ethane
SMILESC1=CC2=C[NH2+]C=NC2C=C1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;1-2/h1-6,8H,(H,9,10);1-2H3/p+1
InChIKeyPFMCJAZAVKIRMS-UHFFFAOYSA-O
MW163.24 g/mol
LogP1.00
Rot. Bonds

About 3,8a-dihydroquinazolin-3-ium;ethane

3,8a-dihydroquinazolin-3-ium;ethane (PubChem CID 142336221) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 3,8a-dihydroquinazolin-3-ium;ethane.

Molecular Properties

Compound Name3,8a-dihydroquinazolin-3-ium;ethane
PubChem CID142336221
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name3,8a-dihydroquinazolin-3-ium;ethane
SMILESC1=CC2=C[NH2+]C=NC2C=C1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;1-2/h1-6,8H,(H,9,10);1-2H3/p+1
InChIKeyPFMCJAZAVKIRMS-UHFFFAOYSA-O
XLogP1.00
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2,4]Benzodiazepine hydrobromide
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5-Fluoro-4-iodo-3,8a-dihydroquinazoline
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4-Methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
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6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine
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1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
N'-[(1E,4Z)-2-methyl-1-(methylamino)hexa-1,4-dien-3-yl]methanimidamide
CID 90452774
3,5,6,8a-Tetrahydroquinazoline
CID 90716742

Frequently Asked Questions

What is the IUPAC name of 3,8a-dihydroquinazolin-3-ium;ethane?
The IUPAC name of 3,8a-dihydroquinazolin-3-ium;ethane (CID 142336221) is 3,8a-dihydroquinazolin-3-ium;ethane.
What is the SMILES notation for 3,8a-dihydroquinazolin-3-ium;ethane?
The canonical SMILES for 3,8a-dihydroquinazolin-3-ium;ethane is C1=CC2=C[NH2+]C=NC2C=C1.CC.
What is the InChIKey of 3,8a-dihydroquinazolin-3-ium;ethane?
The InChIKey is PFMCJAZAVKIRMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N2.C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;1-2/h1-6,8H,(H,9,10);1-2H3/p+1.
What are the key properties of 3,8a-dihydroquinazolin-3-ium;ethane?
3,8a-dihydroquinazolin-3-ium;ethane has a molecular weight of 163.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dihydroquinazolin-3-ium;ethane is sourced from PubChem (CID 142336221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).