2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one

C23H19ClN2O3 — CID 137085073

IUPAC2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
SMILESCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-28-21-13-16(22-25-19-6-4-3-5-18(19)23(27)26-22)9-12-20(21)29-14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,26,27)
InChIKeyHGSTYBKPACSUED-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.22
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one

2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one (PubChem CID 137085073) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
PubChem CID137085073
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
SMILESCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-28-21-13-16(22-25-19-6-4-3-5-18(19)23(27)26-22)9-12-20(21)29-14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,26,27)
InChIKeyHGSTYBKPACSUED-UHFFFAOYSA-N
XLogP5.22
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
CID 168552283
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551146

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one (CID 137085073) is 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one is CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one?
The InChIKey is HGSTYBKPACSUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-28-21-13-16(22-25-19-6-4-3-5-18(19)23(27)26-22)9-12-20(21)29-14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one?
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one has a molecular weight of 406.87 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137085073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).