ethane;iodomethane;3H-quinazolin-4-one

C11H15IN2O — CID 136650915

IUPACethane;iodomethane;3H-quinazolin-4-one
SMILESCC.CI.O=c1[nH]cnc2ccccc12
InChIInChI=1S/C8H6N2O.C2H6.CH3I/c11-8-6-3-1-2-4-7(6)9-5-10-8;2*1-2/h1-5H,(H,9,10,11);1-2H3;1H3
InChIKeyVOJSDVVGELAJNL-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.00
Rot. Bonds

About ethane;iodomethane;3H-quinazolin-4-one

ethane;iodomethane;3H-quinazolin-4-one (PubChem CID 136650915) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is ethane;iodomethane;3H-quinazolin-4-one.

Molecular Properties

Compound Nameethane;iodomethane;3H-quinazolin-4-one
PubChem CID136650915
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Nameethane;iodomethane;3H-quinazolin-4-one
SMILESCC.CI.O=c1[nH]cnc2ccccc12
InChIInChI=1S/C8H6N2O.C2H6.CH3I/c11-8-6-3-1-2-4-7(6)9-5-10-8;2*1-2/h1-5H,(H,9,10,11);1-2H3;1H3
InChIKeyVOJSDVVGELAJNL-UHFFFAOYSA-N
XLogP3.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethane;iodomethane;3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;3H-quinazolin-4-one
CID 143348425
6-deuterio-3H-quinazolin-4-one
CID 175821889
3H-pyrimido[5,4-c]quinolin-4-one
CID 135802600
4-chloroquinazoline;phosphoryl trichloride;3H-quinazolin-4-one
CID 158793020
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
6-phenyl-3H-quinazolin-4-one
CID 135741302
acetic acid;methyl acetate;3-methylquinazolin-4-one;bis(3H-quinazolin-4-one)
CID 159744431
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
4-sulfinyl-3H-quinazoline
CID 119084682
2H-pyrido[3,2-f]quinazolin-1-one
CID 135776062

Frequently Asked Questions

What is the IUPAC name of ethane;iodomethane;3H-quinazolin-4-one?
The IUPAC name of ethane;iodomethane;3H-quinazolin-4-one (CID 136650915) is ethane;iodomethane;3H-quinazolin-4-one.
What is the SMILES notation for ethane;iodomethane;3H-quinazolin-4-one?
The canonical SMILES for ethane;iodomethane;3H-quinazolin-4-one is CC.CI.O=c1[nH]cnc2ccccc12.
What is the InChIKey of ethane;iodomethane;3H-quinazolin-4-one?
The InChIKey is VOJSDVVGELAJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2H6.CH3I/c11-8-6-3-1-2-4-7(6)9-5-10-8;2*1-2/h1-5H,(H,9,10,11);1-2H3;1H3.
What are the key properties of ethane;iodomethane;3H-quinazolin-4-one?
ethane;iodomethane;3H-quinazolin-4-one has a molecular weight of 318.16 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iodomethane;3H-quinazolin-4-one is sourced from PubChem (CID 136650915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).