4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane

C13H12BrClFN3O — CID 166162600

IUPAC4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
SMILESFc1c(Br)ccc2c(N3CCCOCC3)nc(Cl)nc12
InChIInChI=1S/C13H12BrClFN3O/c14-9-3-2-8-11(10(9)16)17-13(15)18-12(8)19-4-1-6-20-7-5-19/h2-3H,1,4-7H2
InChIKeyRGFFBVSKDDHXSU-UHFFFAOYSA-N
MW360.61 g/mol
LogP3.41
Rot. Bonds1

About 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane

4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane (PubChem CID 166162600) has the molecular formula C13H12BrClFN3O and a molecular weight of 360.61 g/mol. Its IUPAC name is 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
PubChem CID166162600
Molecular FormulaC13H12BrClFN3O
Molecular Weight360.61 g/mol
Exact Mass358.98
IUPAC Name4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
SMILESFc1c(Br)ccc2c(N3CCCOCC3)nc(Cl)nc12
InChIInChI=1S/C13H12BrClFN3O/c14-9-3-2-8-11(10(9)16)17-13(15)18-12(8)19-4-1-6-20-7-5-19/h2-3H,1,4-7H2
InChIKeyRGFFBVSKDDHXSU-UHFFFAOYSA-N
XLogP3.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane 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

8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693490
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 79073002
4-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 166139873
5-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169126380
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114692806
4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
CID 86634154
tert-butyl N-[2-[1-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)azetidin-3-yl]propan-2-yl]carbamate
CID 166138910
4-(7-bromo-2-chloro-8-fluoro-6-iodoquinazolin-4-yl)-2-fluoro-1,4-oxazepane
CID 175510506
4-[7-bromo-2-methylsulfanyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]-1,4-oxazepane
CID 170967674
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86618371

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane?
The IUPAC name of 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane (CID 166162600) is 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane?
The canonical SMILES for 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane is Fc1c(Br)ccc2c(N3CCCOCC3)nc(Cl)nc12.
What is the InChIKey of 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane?
The InChIKey is RGFFBVSKDDHXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3O/c14-9-3-2-8-11(10(9)16)17-13(15)18-12(8)19-4-1-6-20-7-5-19/h2-3H,1,4-7H2.
What are the key properties of 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane?
4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane has a molecular weight of 360.61 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane is sourced from PubChem (CID 166162600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).