ethane;6-ethyl-3H-quinazolin-4-one

C12H16N2O — CID 143716071

IUPACethane;6-ethyl-3H-quinazolin-4-one
SMILESCC.CCc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C10H10N2O.C2H6/c1-2-7-3-4-9-8(5-7)10(13)12-6-11-9;1-2/h3-6H,2H2,1H3,(H,11,12,13);1-2H3
InChIKeySBHZBPMYXZZBOA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.51
Rot. Bonds1

About ethane;6-ethyl-3H-quinazolin-4-one

ethane;6-ethyl-3H-quinazolin-4-one (PubChem CID 143716071) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is ethane;6-ethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Nameethane;6-ethyl-3H-quinazolin-4-one
PubChem CID143716071
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Nameethane;6-ethyl-3H-quinazolin-4-one
SMILESCC.CCc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C10H10N2O.C2H6/c1-2-7-3-4-9-8(5-7)10(13)12-6-11-9;1-2/h3-6H,2H2,1H3,(H,11,12,13);1-2H3
InChIKeySBHZBPMYXZZBOA-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
6-phenyl-3H-quinazolin-4-one
CID 135741302
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
6-(2-hydroxyacetyl)-3H-quinazolin-4-one
CID 158775272
6-propan-2-ylsulfanyl-3H-quinazolin-4-one
CID 136641879
6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
CID 135518226
6-(4-bromobut-1-ynyl)-3H-quinazolin-4-one
CID 170466826
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
CID 141169249
methane;3H-quinazolin-4-one
CID 143348425
N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide
CID 136574524
7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3H-quinazolin-4-one?
The IUPAC name of ethane;6-ethyl-3H-quinazolin-4-one (CID 143716071) is ethane;6-ethyl-3H-quinazolin-4-one.
What is the SMILES notation for ethane;6-ethyl-3H-quinazolin-4-one?
The canonical SMILES for ethane;6-ethyl-3H-quinazolin-4-one is CC.CCc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of ethane;6-ethyl-3H-quinazolin-4-one?
The InChIKey is SBHZBPMYXZZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-2-7-3-4-9-8(5-7)10(13)12-6-11-9;1-2/h3-6H,2H2,1H3,(H,11,12,13);1-2H3.
What are the key properties of ethane;6-ethyl-3H-quinazolin-4-one?
ethane;6-ethyl-3H-quinazolin-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3H-quinazolin-4-one is sourced from PubChem (CID 143716071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).