6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione

C16H6Br2Cl2F2N4O2 — CID 160733512

IUPAC6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
SMILESFc1cc(Br)cc2c(Cl)nc(Cl)nc12.O=c1[nH]c(=O)c2cc(Br)cc(F)c2[nH]1
InChIInChI=1S/C8H2BrCl2FN2.C8H4BrFN2O2/c9-3-1-4-6(5(12)2-3)13-8(11)14-7(4)10;9-3-1-4-6(5(10)2-3)11-8(14)12-7(4)13/h1-2H;1-2H,(H2,11,12,13,14)
InChIKeyRUQPNQNJGLQNFG-UHFFFAOYSA-N
MW554.96 g/mol
LogP4.96
Rot. Bonds

About 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione

6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione (PubChem CID 160733512) has the molecular formula C16H6Br2Cl2F2N4O2 and a molecular weight of 554.96 g/mol. Its IUPAC name is 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
PubChem CID160733512
Molecular FormulaC16H6Br2Cl2F2N4O2
Molecular Weight554.96 g/mol
Exact Mass551.82
IUPAC Name6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
SMILESFc1cc(Br)cc2c(Cl)nc(Cl)nc12.O=c1[nH]c(=O)c2cc(Br)cc(F)c2[nH]1
InChIInChI=1S/C8H2BrCl2FN2.C8H4BrFN2O2/c9-3-1-4-6(5(12)2-3)13-8(11)14-7(4)10;9-3-1-4-6(5(10)2-3)11-8(14)12-7(4)13/h1-2H;1-2H,(H2,11,12,13,14)
InChIKeyRUQPNQNJGLQNFG-UHFFFAOYSA-N
XLogP4.96
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.96
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;methane
CID 163983248
azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione
CID 158076280
6-bromo-2,4-dichloro-8-iodoquinazoline
CID 122519729
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
CID 118010690
7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
CID 170926123
8-fluoro-1H-quinazoline-2,4-dione
CID 10080993
6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
CID 167343616
7-bromo-2,4,6-trichloro-8-fluoroquinazoline;ethane
CID 156797358
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
6-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
CID 43668193
7-bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione (CID 160733512) is 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione is Fc1cc(Br)cc2c(Cl)nc(Cl)nc12.O=c1[nH]c(=O)c2cc(Br)cc(F)c2[nH]1.
What is the InChIKey of 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is RUQPNQNJGLQNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl2FN2.C8H4BrFN2O2/c9-3-1-4-6(5(12)2-3)13-8(11)14-7(4)10;9-3-1-4-6(5(10)2-3)11-8(14)12-7(4)13/h1-2H;1-2H,(H2,11,12,13,14).
What are the key properties of 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione?
6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 554.96 g/mol, XLogP of 4.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 160733512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).