methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate

C11H8ClFN2O2 — CID 137332580

IUPACmethyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate
SMILESCOC(=O)Cc1nc(Cl)nc2cc(F)ccc12
InChIInChI=1S/C11H8ClFN2O2/c1-17-10(16)5-9-7-3-2-6(13)4-8(7)14-11(12)15-9/h2-4H,5H2,1H3
InChIKeyNLTRZYJIWOMAOQ-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.14
Rot. Bonds2

About methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate

methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate (PubChem CID 137332580) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate
PubChem CID137332580
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Namemethyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate
SMILESCOC(=O)Cc1nc(Cl)nc2cc(F)ccc12
InChIInChI=1S/C11H8ClFN2O2/c1-17-10(16)5-9-7-3-2-6(13)4-8(7)14-11(12)15-9/h2-4H,5H2,1H3
InChIKeyNLTRZYJIWOMAOQ-UHFFFAOYSA-N
XLogP2.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5,7-dichloroquinolin-2-yl)acetate
CID 82247403
N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide
CID 134314811
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine
CID 105483432
methyl 7-(7-fluoro-4-oxo-3H-quinazolin-2-yl)heptanoate
CID 169087846
methyl 2-[3-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685443
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134676745
methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate
CID 97036596
methyl 4-[(2-chloro-4-fluorophenyl)methylamino]butanoate
CID 83321645
methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate?
The IUPAC name of methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate (CID 137332580) is methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate?
The canonical SMILES for methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate is COC(=O)Cc1nc(Cl)nc2cc(F)ccc12.
What is the InChIKey of methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate?
The InChIKey is NLTRZYJIWOMAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-17-10(16)5-9-7-3-2-6(13)4-8(7)14-11(12)15-9/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate?
methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate has a molecular weight of 254.65 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate is sourced from PubChem (CID 137332580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).