(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate

C18H15ClN2O4 — CID 135723683

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H15ClN2O4/c1-24-15-7-6-12(19)8-11(15)9-17(22)25-10-16-20-14-5-3-2-4-13(14)18(23)21-16/h2-8H,9-10H2,1H3,(H,20,21,23)
InChIKeyWMGMDWOJCOYTIN-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.87
Rot. Bonds5

About (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate

(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 135723683) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID135723683
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H15ClN2O4/c1-24-15-7-6-12(19)8-11(15)9-17(22)25-10-16-20-14-5-3-2-4-13(14)18(23)21-16/h2-8H,9-10H2,1H3,(H,20,21,23)
InChIKeyWMGMDWOJCOYTIN-UHFFFAOYSA-N
XLogP2.87
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 135734857
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 135729992
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 135737744
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
(5-chloro-2-methoxyphenyl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43015446
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 135729983
N-(5-chloro-2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135452696
(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808487

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate (CID 135723683) is (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is WMGMDWOJCOYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-24-15-7-6-12(19)8-11(15)9-17(22)25-10-16-20-14-5-3-2-4-13(14)18(23)21-16/h2-8H,9-10H2,1H3,(H,20,21,23).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 358.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 135723683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).