methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate

C11H8BrClN2O2 — CID 175012235

IUPACmethyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate
SMILESCOC(=O)Cc1ccc2cnc(Cl)nc2c1Br
InChIInChI=1S/C11H8BrClN2O2/c1-17-8(16)4-6-2-3-7-5-14-11(13)15-10(7)9(6)12/h2-3,5H,4H2,1H3
InChIKeyOOUXQLPWWKKLST-UHFFFAOYSA-N
MW315.55 g/mol
LogP2.76
Rot. Bonds2

About methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate

methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate (PubChem CID 175012235) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate
PubChem CID175012235
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Namemethyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate
SMILESCOC(=O)Cc1ccc2cnc(Cl)nc2c1Br
InChIInChI=1S/C11H8BrClN2O2/c1-17-8(16)4-6-2-3-7-5-14-11(13)15-10(7)9(6)12/h2-3,5H,4H2,1H3
InChIKeyOOUXQLPWWKKLST-UHFFFAOYSA-N
XLogP2.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate
CID 131400389
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154
methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
CID 170995993
methyl 2-(3-bromo-2-chloro-4-iodophenyl)acetate
CID 171027522
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
methyl 2-(2-bromo-3-cyano-4-ethylphenyl)acetate
CID 134614121
7-bromo-2-chloroquinazolin-8-ol
CID 59199227
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
CID 131211595
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
methyl 2-(2-bromo-3-iodo-4-methylphenyl)acetate
CID 171026161
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate?
The IUPAC name of methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate (CID 175012235) is methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate.
What is the SMILES notation for methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate?
The canonical SMILES for methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate is COC(=O)Cc1ccc2cnc(Cl)nc2c1Br.
What is the InChIKey of methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate?
The InChIKey is OOUXQLPWWKKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-17-8(16)4-6-2-3-7-5-14-11(13)15-10(7)9(6)12/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate?
methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate has a molecular weight of 315.55 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate is sourced from PubChem (CID 175012235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).