ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate

C19H18N2O3 — CID 112816009

IUPACethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-23-19(22)14-8-10-15(11-9-14)24-12-18-20-13(2)16-6-4-5-7-17(16)21-18/h4-11H,3,12H2,1-2H3
InChIKeyHCPNMQSFZPBAIZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.69
Rot. Bonds5

About ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate

ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate (PubChem CID 112816009) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
PubChem CID112816009
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-23-19(22)14-8-10-15(11-9-14)24-12-18-20-13(2)16-6-4-5-7-17(16)21-18/h4-11H,3,12H2,1-2H3
InChIKeyHCPNMQSFZPBAIZ-UHFFFAOYSA-N
XLogP3.69
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
CID 9451944
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 32670302
ethyl 4-(2-propylquinazolin-4-yl)benzoate
CID 142506086
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one
CID 167767638
ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 63862752
ethyl 4-[[2-(4-methylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3312624
N-ethyl-3-methyl-2-[(4-methylquinazolin-2-yl)methoxy]benzamide
CID 126775016
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate (CID 112816009) is ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2nc(C)c3ccccc3n2)cc1.
What is the InChIKey of ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate?
The InChIKey is HCPNMQSFZPBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-23-19(22)14-8-10-15(11-9-14)24-12-18-20-13(2)16-6-4-5-7-17(16)21-18/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate?
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate is sourced from PubChem (CID 112816009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).