(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate

C19H18N2O5 — CID 135734742

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H18N2O5/c1-3-25-15-9-8-12(10-16(15)24-2)19(23)26-11-17-20-14-7-5-4-6-13(14)18(22)21-17/h4-10H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyJZUXGUBPSWBCKH-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.69
Rot. Bonds6

About (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate

(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate (PubChem CID 135734742) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
PubChem CID135734742
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H18N2O5/c1-3-25-15-9-8-12(10-16(15)24-2)19(23)26-11-17-20-14-7-5-4-6-13(14)18(22)21-17/h4-10H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyJZUXGUBPSWBCKH-UHFFFAOYSA-N
XLogP2.69
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135787520
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 16571543
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 135745967
N-benzyl-3,4-diethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135875437
1,3-benzothiazol-2-ylmethyl 4-ethoxy-3-methoxybenzoate
CID 2500972
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate (CID 135734742) is (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
The InChIKey is JZUXGUBPSWBCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-25-15-9-8-12(10-16(15)24-2)19(23)26-11-17-20-14-7-5-4-6-13(14)18(22)21-17/h4-10H,3,11H2,1-2H3,(H,20,21,22).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate has a molecular weight of 354.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 135734742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).