3-(2-bromoethyl)-8-methyl-2H-quinazoline

C11H13BrN2 — CID 175932858

IUPAC3-(2-bromoethyl)-8-methyl-2H-quinazoline
SMILESCc1cccc2c1=NCN(CCBr)C=2
InChIInChI=1S/C11H13BrN2/c1-9-3-2-4-10-7-14(6-5-12)8-13-11(9)10/h2-4,7H,5-6,8H2,1H3
InChIKeyRYOAGMIGVMEMGD-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.02
Rot. Bonds2

About 3-(2-bromoethyl)-8-methyl-2H-quinazoline

3-(2-bromoethyl)-8-methyl-2H-quinazoline (PubChem CID 175932858) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 3-(2-bromoethyl)-8-methyl-2H-quinazoline.

Molecular Properties

Compound Name3-(2-bromoethyl)-8-methyl-2H-quinazoline
PubChem CID175932858
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name3-(2-bromoethyl)-8-methyl-2H-quinazoline
SMILESCc1cccc2c1=NCN(CCBr)C=2
InChIInChI=1S/C11H13BrN2/c1-9-3-2-4-10-7-14(6-5-12)8-13-11(9)10/h2-4,7H,5-6,8H2,1H3
InChIKeyRYOAGMIGVMEMGD-UHFFFAOYSA-N
XLogP1.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-bromoethyl)-8-methyl-2H-quinazoline 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

3-Methylquinazoline
CID 68345740
3-(2-Bromoethyl)quinazolinone
CID 132278501
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
2,3-dimethyl-2H-quinazoline
CID 23503296
6-bromo-3-cyclopropyl-2H-quinazoline
CID 68956138
3-pentyl-2H-quinazoline
CID 69328254
6-bromo-3-methyl-2H-quinazoline
CID 141185520
2-chloro-3,8-dimethyl-2H-quinazoline
CID 151428254
3,8-dimethyl-2H-quinazoline
CID 152633432
6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline
CID 172706741
6-bromo-3,5-dimethyl-2H-quinazoline
CID 172787863
6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline
CID 172835016

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-8-methyl-2H-quinazoline?
The IUPAC name of 3-(2-bromoethyl)-8-methyl-2H-quinazoline (CID 175932858) is 3-(2-bromoethyl)-8-methyl-2H-quinazoline.
What is the SMILES notation for 3-(2-bromoethyl)-8-methyl-2H-quinazoline?
The canonical SMILES for 3-(2-bromoethyl)-8-methyl-2H-quinazoline is Cc1cccc2c1=NCN(CCBr)C=2.
What is the InChIKey of 3-(2-bromoethyl)-8-methyl-2H-quinazoline?
The InChIKey is RYOAGMIGVMEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-9-3-2-4-10-7-14(6-5-12)8-13-11(9)10/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 3-(2-bromoethyl)-8-methyl-2H-quinazoline?
3-(2-bromoethyl)-8-methyl-2H-quinazoline has a molecular weight of 253.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-8-methyl-2H-quinazoline is sourced from PubChem (CID 175932858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).