methylboronic acid;4-methyl-6,7-dihydroquinazoline

C10H15BN2O2 — CID 91469651

IUPACmethylboronic acid;4-methyl-6,7-dihydroquinazoline
SMILESCB(O)O.Cc1ncnc2c1=CCCC=2
InChIInChI=1S/C9H10N2.CH5BO2/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2(3)4/h4-6H,2-3H2,1H3;3-4H,1H3
InChIKeyLZIGXYZFZXUVPR-UHFFFAOYSA-N
MW206.05 g/mol
LogP-0.77
Rot. Bonds

About methylboronic acid;4-methyl-6,7-dihydroquinazoline

methylboronic acid;4-methyl-6,7-dihydroquinazoline (PubChem CID 91469651) has the molecular formula C10H15BN2O2 and a molecular weight of 206.05 g/mol. Its IUPAC name is methylboronic acid;4-methyl-6,7-dihydroquinazoline.

Molecular Properties

Compound Namemethylboronic acid;4-methyl-6,7-dihydroquinazoline
PubChem CID91469651
Molecular FormulaC10H15BN2O2
Molecular Weight206.05 g/mol
Exact Mass206.12
IUPAC Namemethylboronic acid;4-methyl-6,7-dihydroquinazoline
SMILESCB(O)O.Cc1ncnc2c1=CCCC=2
InChIInChI=1S/C9H10N2.CH5BO2/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2(3)4/h4-6H,2-3H2,1H3;3-4H,1H3
InChIKeyLZIGXYZFZXUVPR-UHFFFAOYSA-N
XLogP-0.77
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methylboronic acid;4-methyl-6,7-dihydroquinazoline 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

4-Methyl-6,7-dihydroquinazoline
CID 59065946
Iodomethane;4-methyl-6,7-dihydroquinazoline
CID 90762040
Ethane;4-methyl-6,7-dihydroquinazoline
CID 90864738
Fluoromethane;4-methyl-6,7-dihydroquinazoline
CID 91279701
(5E)-5-ethylidene-4-methyl-6-methylidenepyrimidine
CID 141823426
4,7-Dimethyl-6,7-dihydroquinazoline
CID 169185632
4-Ethyl-6,7-dihydroquinazoline
CID 153553811

Frequently Asked Questions

What is the IUPAC name of methylboronic acid;4-methyl-6,7-dihydroquinazoline?
The IUPAC name of methylboronic acid;4-methyl-6,7-dihydroquinazoline (CID 91469651) is methylboronic acid;4-methyl-6,7-dihydroquinazoline.
What is the SMILES notation for methylboronic acid;4-methyl-6,7-dihydroquinazoline?
The canonical SMILES for methylboronic acid;4-methyl-6,7-dihydroquinazoline is CB(O)O.Cc1ncnc2c1=CCCC=2.
What is the InChIKey of methylboronic acid;4-methyl-6,7-dihydroquinazoline?
The InChIKey is LZIGXYZFZXUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.CH5BO2/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2(3)4/h4-6H,2-3H2,1H3;3-4H,1H3.
What are the key properties of methylboronic acid;4-methyl-6,7-dihydroquinazoline?
methylboronic acid;4-methyl-6,7-dihydroquinazoline has a molecular weight of 206.05 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylboronic acid;4-methyl-6,7-dihydroquinazoline is sourced from PubChem (CID 91469651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).