methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate

C12H11ClN2O3 — CID 170904125

IUPACmethyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCOC(=O)Cn1c(Cl)nc2ccc(C)cc2c1=O
InChIInChI=1S/C12H11ClN2O3/c1-7-3-4-9-8(5-7)11(17)15(12(13)14-9)6-10(16)18-2/h3-5H,6H2,1-2H3
InChIKeyLVJSDFJCTIQXRW-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate

methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 170904125) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID170904125
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Namemethyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCOC(=O)Cn1c(Cl)nc2ccc(C)cc2c1=O
InChIInChI=1S/C12H11ClN2O3/c1-7-3-4-9-8(5-7)11(17)15(12(13)14-9)6-10(16)18-2/h3-5H,6H2,1-2H3
InChIKeyLVJSDFJCTIQXRW-UHFFFAOYSA-N
XLogP1.53
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate
CID 170902286
3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264154
2-chloro-7-methyl-3-(2-oxopropyl)quinazolin-4-one
CID 117264191
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
CID 117263866
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate (CID 170904125) is methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate is COC(=O)Cn1c(Cl)nc2ccc(C)cc2c1=O.
What is the InChIKey of methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is LVJSDFJCTIQXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-3-4-9-8(5-7)11(17)15(12(13)14-9)6-10(16)18-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate?
methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 266.68 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 170904125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).