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

C23H19N3O4 — CID 135734764

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H19N3O4/c27-22(30-14-21-25-20-9-5-4-8-19(20)23(28)26-21)15-29-18-12-10-17(11-13-18)24-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,25,26,28)
InChIKeyBPQJTSNQXFIFJH-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.79
Rot. Bonds7

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

(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate (PubChem CID 135734764) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate
PubChem CID135734764
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H19N3O4/c27-22(30-14-21-25-20-9-5-4-8-19(20)23(28)26-21)15-29-18-12-10-17(11-13-18)24-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,25,26,28)
InChIKeyBPQJTSNQXFIFJH-UHFFFAOYSA-N
XLogP3.79
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 135734857
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 2609306
N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135893399
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate (CID 135734764) is (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate is O=C(COc1ccc(Nc2ccccc2)cc1)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate?
The InChIKey is BPQJTSNQXFIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-22(30-14-21-25-20-9-5-4-8-19(20)23(28)26-21)15-29-18-12-10-17(11-13-18)24-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,25,26,28).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate?
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate has a molecular weight of 401.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 135734764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).