[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate

C23H17ClN2O4 — CID 168552283

IUPAC[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
SMILESCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O4/c1-2-29-20-13-15(21-25-18-6-4-3-5-17(18)22(27)26-21)9-12-19(20)30-23(28)14-7-10-16(24)11-8-14/h3-13H,2H2,1H3,(H,25,26,27)
InChIKeyQDWJRCJUDGVBSQ-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.86
Rot. Bonds5

About [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate

[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate (PubChem CID 168552283) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
PubChem CID168552283
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
SMILESCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O4/c1-2-29-20-13-15(21-25-18-6-4-3-5-17(18)22(27)26-21)9-12-19(20)30-23(28)14-7-10-16(24)11-8-14/h3-13H,2H2,1H3,(H,25,26,27)
InChIKeyQDWJRCJUDGVBSQ-UHFFFAOYSA-N
XLogP4.86
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
CID 168552483
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
[4-(1H-benzimidazol-2-yl)-2-ethoxyphenyl] 3-methylbenzoate
CID 168554799
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
[4-[[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]iminomethyl]-2-ethoxyphenyl] benzoate
CID 126143023
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
[2-ethoxy-4-[[2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-chlorobenzoate
CID 126152218

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate?
The IUPAC name of [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate (CID 168552283) is [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate.
What is the SMILES notation for [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate?
The canonical SMILES for [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate is CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate?
The InChIKey is QDWJRCJUDGVBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-2-29-20-13-15(21-25-18-6-4-3-5-17(18)22(27)26-21)9-12-19(20)30-23(28)14-7-10-16(24)11-8-14/h3-13H,2H2,1H3,(H,25,26,27).
What are the key properties of [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate?
[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate has a molecular weight of 420.85 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate is sourced from PubChem (CID 168552283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).