(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate

C17H13ClN2O4 — CID 135734857

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H13ClN2O4/c18-11-5-7-12(8-6-11)23-10-16(21)24-9-15-19-14-4-2-1-3-13(14)17(22)20-15/h1-8H,9-10H2,(H,19,20,22)
InChIKeyQXJYRMXSMJVAKY-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.70
Rot. Bonds5

About (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate

(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate (PubChem CID 135734857) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
PubChem CID135734857
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H13ClN2O4/c18-11-5-7-12(8-6-11)23-10-16(21)24-9-15-19-14-4-2-1-3-13(14)17(22)20-15/h1-8H,9-10H2,(H,19,20,22)
InChIKeyQXJYRMXSMJVAKY-UHFFFAOYSA-N
XLogP2.70
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate
CID 135734764
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135775925
(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 135723683
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135445852
2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135891120
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831616
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 135729983
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135898154
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate (CID 135734857) is (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
The InChIKey is QXJYRMXSMJVAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-11-5-7-12(8-6-11)23-10-16(21)24-9-15-19-14-4-2-1-3-13(14)17(22)20-15/h1-8H,9-10H2,(H,19,20,22).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate has a molecular weight of 344.75 g/mol, XLogP of 2.70, 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-(4-chlorophenoxy)acetate is sourced from PubChem (CID 135734857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).