ethane;methanol;4-methylquinazoline

C12H18N2O — CID 91108480

IUPACethane;methanol;4-methylquinazoline
SMILESCC.CO.Cc1ncnc2ccccc12
InChIInChI=1S/C9H8N2.C2H6.CH4O/c1-7-8-4-2-3-5-9(8)11-6-10-7;2*1-2/h2-6H,1H3;1-2H3;2H,1H3
InChIKeyNRNJHTZMZNUNBW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds

About ethane;methanol;4-methylquinazoline

ethane;methanol;4-methylquinazoline (PubChem CID 91108480) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is ethane;methanol;4-methylquinazoline.

Molecular Properties

Compound Nameethane;methanol;4-methylquinazoline
PubChem CID91108480
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nameethane;methanol;4-methylquinazoline
SMILESCC.CO.Cc1ncnc2ccccc12
InChIInChI=1S/C9H8N2.C2H6.CH4O/c1-7-8-4-2-3-5-9(8)11-6-10-7;2*1-2/h2-6H,1H3;1-2H3;2H,1H3
InChIKeyNRNJHTZMZNUNBW-UHFFFAOYSA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methanol;4-methylquinazoline 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

benzene;4-methylquinazoline
CID 174274782
fluoromethane;4-methylquinazoline
CID 91079443
2-chloro-N-methylacetamide;4-methylquinazoline
CID 91539258
4,6-dimethylquinazoline;ethane
CID 91475450
7-chloro-4-methylquinazoline;ethane
CID 142542904
4-methylquinazolin-7-amine
CID 90920738
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
azane;quinazolin-4-amine
CID 172800040
hydron;quinazolin-4-amine
CID 174478214
ethane;4-methylquinoline
CID 90853056
4-methylquinazoline-6-carboxylic acid
CID 84661394
4-ethoxyquinazoline
CID 589708

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-methylquinazoline?
The IUPAC name of ethane;methanol;4-methylquinazoline (CID 91108480) is ethane;methanol;4-methylquinazoline.
What is the SMILES notation for ethane;methanol;4-methylquinazoline?
The canonical SMILES for ethane;methanol;4-methylquinazoline is CC.CO.Cc1ncnc2ccccc12.
What is the InChIKey of ethane;methanol;4-methylquinazoline?
The InChIKey is NRNJHTZMZNUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6.CH4O/c1-7-8-4-2-3-5-9(8)11-6-10-7;2*1-2/h2-6H,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-methylquinazoline?
ethane;methanol;4-methylquinazoline has a molecular weight of 206.29 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-methylquinazoline is sourced from PubChem (CID 91108480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).