7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline

C13H11BrF2N4 — CID 176976479

IUPAC7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline
SMILESCc1cc2c(N3CC4NCC43)nc(F)nc2c(F)c1Br
InChIInChI=1S/C13H11BrF2N4/c1-5-2-6-11(10(15)9(5)14)18-13(16)19-12(6)20-4-7-8(20)3-17-7/h2,7-8,17H,3-4H2,1H3
InChIKeyKZEDWYLPFQAKSM-UHFFFAOYSA-N
MW341.16 g/mol
LogP2.14
Rot. Bonds1

About 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline

7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline (PubChem CID 176976479) has the molecular formula C13H11BrF2N4 and a molecular weight of 341.16 g/mol. Its IUPAC name is 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline.

Molecular Properties

Compound Name7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline
PubChem CID176976479
Molecular FormulaC13H11BrF2N4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Name7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline
SMILESCc1cc2c(N3CC4NCC43)nc(F)nc2c(F)c1Br
InChIInChI=1S/C13H11BrF2N4/c1-5-2-6-11(10(15)9(5)14)18-13(16)19-12(6)20-4-7-8(20)3-17-7/h2,7-8,17H,3-4H2,1H3
InChIKeyKZEDWYLPFQAKSM-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline?
The IUPAC name of 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline (CID 176976479) is 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline.
What is the SMILES notation for 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline?
The canonical SMILES for 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline is Cc1cc2c(N3CC4NCC43)nc(F)nc2c(F)c1Br.
What is the InChIKey of 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline?
The InChIKey is KZEDWYLPFQAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N4/c1-5-2-6-11(10(15)9(5)14)18-13(16)19-12(6)20-4-7-8(20)3-17-7/h2,7-8,17H,3-4H2,1H3.
What are the key properties of 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline?
7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline has a molecular weight of 341.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2,8-difluoro-6-methylquinazoline is sourced from PubChem (CID 176976479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).