methyl 2-(4-chloroquinazolin-2-yl)acetate

C11H9ClN2O2 — CID 71748503

IUPACmethyl 2-(4-chloroquinazolin-2-yl)acetate
SMILESCOC(=O)Cc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C11H9ClN2O2/c1-16-10(15)6-9-13-8-5-3-2-4-7(8)11(12)14-9/h2-5H,6H2,1H3
InChIKeyAFGNTESSSSIMSR-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.00
Rot. Bonds2

About methyl 2-(4-chloroquinazolin-2-yl)acetate

methyl 2-(4-chloroquinazolin-2-yl)acetate (PubChem CID 71748503) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is methyl 2-(4-chloroquinazolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloroquinazolin-2-yl)acetate
PubChem CID71748503
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Namemethyl 2-(4-chloroquinazolin-2-yl)acetate
SMILESCOC(=O)Cc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C11H9ClN2O2/c1-16-10(15)6-9-13-8-5-3-2-4-7(8)11(12)14-9/h2-5H,6H2,1H3
InChIKeyAFGNTESSSSIMSR-UHFFFAOYSA-N
XLogP2.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
2-(4-chloroquinazolin-2-yl)-N-methylethanamine
CID 105478665
1-(4-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497225
methyl 2-(4-chlorophthalazin-1-yl)acetate
CID 117272900
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
CID 172801156
CID 172801156
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
methyl 2-[(1-chloroisoquinoline-3-carbonyl)amino]acetate
CID 43343362
methyl acridine-9-carboxylate
CID 21211
2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline
CID 160857982
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloroquinazolin-2-yl)acetate?
The IUPAC name of methyl 2-(4-chloroquinazolin-2-yl)acetate (CID 71748503) is methyl 2-(4-chloroquinazolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-chloroquinazolin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-chloroquinazolin-2-yl)acetate is COC(=O)Cc1nc(Cl)c2ccccc2n1.
What is the InChIKey of methyl 2-(4-chloroquinazolin-2-yl)acetate?
The InChIKey is AFGNTESSSSIMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-10(15)6-9-13-8-5-3-2-4-7(8)11(12)14-9/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(4-chloroquinazolin-2-yl)acetate?
methyl 2-(4-chloroquinazolin-2-yl)acetate has a molecular weight of 236.66 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloroquinazolin-2-yl)acetate is sourced from PubChem (CID 71748503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).