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

C10H11BrN2 — CID 174907746

IUPAC3-(2-bromoethyl)-2H-quinazoline
SMILESBrCCN1C=c2ccccc2=NC1
InChIInChI=1S/C10H11BrN2/c11-5-6-13-7-9-3-1-2-4-10(9)12-8-13/h1-4,7H,5-6,8H2
InChIKeyDNQQZYMEQUWFIB-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.71
Rot. Bonds2

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

3-(2-bromoethyl)-2H-quinazoline (PubChem CID 174907746) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 3-(2-bromoethyl)-2H-quinazoline.

Molecular Properties

Compound Name3-(2-bromoethyl)-2H-quinazoline
PubChem CID174907746
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name3-(2-bromoethyl)-2H-quinazoline
SMILESBrCCN1C=c2ccccc2=NC1
InChIInChI=1S/C10H11BrN2/c11-5-6-13-7-9-3-1-2-4-10(9)12-8-13/h1-4,7H,5-6,8H2
InChIKeyDNQQZYMEQUWFIB-UHFFFAOYSA-N
XLogP0.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrido[2,1-b]quinazoline
CID 16637595
3-Bromoquinazoline
CID 21897181
Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
Pyrazino[2,1-b]quinazoline
CID 129653308
3-(2-Bromoethyl)quinazolinone
CID 132278501
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
CID 175890660
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
2,3-dimethyl-2H-quinazoline
CID 23503296
7-chloro-3-prop-2-enyl-2H-quinazoline
CID 66895816

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-2H-quinazoline?
The IUPAC name of 3-(2-bromoethyl)-2H-quinazoline (CID 174907746) is 3-(2-bromoethyl)-2H-quinazoline.
What is the SMILES notation for 3-(2-bromoethyl)-2H-quinazoline?
The canonical SMILES for 3-(2-bromoethyl)-2H-quinazoline is BrCCN1C=c2ccccc2=NC1.
What is the InChIKey of 3-(2-bromoethyl)-2H-quinazoline?
The InChIKey is DNQQZYMEQUWFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-5-6-13-7-9-3-1-2-4-10(9)12-8-13/h1-4,7H,5-6,8H2.
What are the key properties of 3-(2-bromoethyl)-2H-quinazoline?
3-(2-bromoethyl)-2H-quinazoline has a molecular weight of 239.12 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-2H-quinazoline is sourced from PubChem (CID 174907746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).