ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate

C24H20N2O3 — CID 101425278

IUPACethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C24H20N2O3/c1-3-29-24(27)18-11-9-16(10-12-18)22-20-15-19(28-2)13-14-21(20)25-23(26-22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
InChIKeyYXBZDJIELVISFN-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.15
Rot. Bonds5

About ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate

ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate (PubChem CID 101425278) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
PubChem CID101425278
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Nameethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C24H20N2O3/c1-3-29-24(27)18-11-9-16(10-12-18)22-20-15-19(28-2)13-14-21(20)25-23(26-22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
InChIKeyYXBZDJIELVISFN-UHFFFAOYSA-N
XLogP5.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
(2,4-diphenylquinazolin-6-yl)oxyboronic acid
CID 175769307
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(9-phenylacridin-2-yl)benzoate
CID 132505000
ethyl 4-(2-propylquinazolin-4-yl)benzoate
CID 142506086
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate?
The IUPAC name of ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate (CID 101425278) is ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate.
What is the SMILES notation for ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate?
The canonical SMILES for ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate is CCOC(=O)c1ccc(-c2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1.
What is the InChIKey of ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate?
The InChIKey is YXBZDJIELVISFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-3-29-24(27)18-11-9-16(10-12-18)22-20-15-19(28-2)13-14-21(20)25-23(26-22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate?
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate has a molecular weight of 384.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate is sourced from PubChem (CID 101425278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).