2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one

C17H15IN2O3 — CID 168552547

IUPAC2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
SMILESCCOc1c(I)cc(-c2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C17H15IN2O3/c1-3-23-15-12(18)8-10(9-14(15)22-2)16-19-13-7-5-4-6-11(13)17(21)20-16/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyMHUUFMMAAHBKLG-UHFFFAOYSA-N
MW422.22 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one

2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168552547) has the molecular formula C17H15IN2O3 and a molecular weight of 422.22 g/mol. Its IUPAC name is 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID168552547
Molecular FormulaC17H15IN2O3
Molecular Weight422.22 g/mol
Exact Mass422.01
IUPAC Name2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
SMILESCCOc1c(I)cc(-c2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C17H15IN2O3/c1-3-23-15-12(18)8-10(9-14(15)22-2)16-19-13-7-5-4-6-11(13)17(21)20-16/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyMHUUFMMAAHBKLG-UHFFFAOYSA-N
XLogP3.60
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
CID 168555061
2-(3-ethoxy-5-iodo-4-propoxyphenyl)-1H-benzimidazole
CID 168555067
2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
CID 168551703
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-3H-quinazolin-4-one
CID 168551572

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one (CID 168552547) is 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one is CCOc1c(I)cc(-c2nc3ccccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is MHUUFMMAAHBKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O3/c1-3-23-15-12(18)8-10(9-14(15)22-2)16-19-13-7-5-4-6-11(13)17(21)20-16/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one?
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 422.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).