3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one

C18H14BrFN4O3 — CID 167917256

IUPAC3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(Nc2ncnc3cc(F)c(Br)cc23)cc1N1CCOC1=O
InChIInChI=1S/C18H14BrFN4O3/c1-26-16-3-2-10(6-15(16)24-4-5-27-18(24)25)23-17-11-7-12(19)13(20)8-14(11)21-9-22-17/h2-3,6-9H,4-5H2,1H3,(H,21,22,23)
InChIKeyWZFNMCKIJRNOIZ-UHFFFAOYSA-N
MW433.24 g/mol
LogP4.24
Rot. Bonds4

About 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one

3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one (PubChem CID 167917256) has the molecular formula C18H14BrFN4O3 and a molecular weight of 433.24 g/mol. Its IUPAC name is 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one
PubChem CID167917256
Molecular FormulaC18H14BrFN4O3
Molecular Weight433.24 g/mol
Exact Mass432.02
IUPAC Name3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(Nc2ncnc3cc(F)c(Br)cc23)cc1N1CCOC1=O
InChIInChI=1S/C18H14BrFN4O3/c1-26-16-3-2-10(6-15(16)24-4-5-27-18(24)25)23-17-11-7-12(19)13(20)8-14(11)21-9-22-17/h2-3,6-9H,4-5H2,1H3,(H,21,22,23)
InChIKeyWZFNMCKIJRNOIZ-UHFFFAOYSA-N
XLogP4.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one (CID 167917256) is 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one is COc1ccc(Nc2ncnc3cc(F)c(Br)cc23)cc1N1CCOC1=O.
What is the InChIKey of 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one?
The InChIKey is WZFNMCKIJRNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O3/c1-26-16-3-2-10(6-15(16)24-4-5-27-18(24)25)23-17-11-7-12(19)13(20)8-14(11)21-9-22-17/h2-3,6-9H,4-5H2,1H3,(H,21,22,23).
What are the key properties of 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one?
3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one has a molecular weight of 433.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(6-bromo-7-fluoroquinazolin-4-yl)amino]-2-methoxyphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167917256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).