2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one

C15H10ClIN2O2 — CID 67982185

IUPAC2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(Cl)nc3ccc(I)cc3c2=O)c1
InChIInChI=1S/C15H10ClIN2O2/c1-21-11-4-2-3-10(8-11)19-14(20)12-7-9(17)5-6-13(12)18-15(19)16/h2-8H,1H3
InChIKeyHZBNCKJPUWXQLC-UHFFFAOYSA-N
MW412.61 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one

2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 67982185) has the molecular formula C15H10ClIN2O2 and a molecular weight of 412.61 g/mol. Its IUPAC name is 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
PubChem CID67982185
Molecular FormulaC15H10ClIN2O2
Molecular Weight412.61 g/mol
Exact Mass411.95
IUPAC Name2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(Cl)nc3ccc(I)cc3c2=O)c1
InChIInChI=1S/C15H10ClIN2O2/c1-21-11-4-2-3-10(8-11)19-14(20)12-7-9(17)5-6-13(12)18-15(19)16/h2-8H,1H3
InChIKeyHZBNCKJPUWXQLC-UHFFFAOYSA-N
XLogP3.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 2940202
2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 6238237
3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one
CID 67982198
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4271756
3-(3-fluorophenyl)-6-iodo-2-[(4-methoxyphenyl)methylamino]quinazolin-4-one
CID 67982070
6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one
CID 46855601
2-[(5-bromo-1-methyl-2-oxoindol-3-ylidene)methyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 4573158
6-[(3-chloro-4-methylphenyl)diazenyl]-3-(3-methoxyphenyl)-2-phenylquinazolin-4-one
CID 169408693
6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 2981621
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238654
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one (CID 67982185) is 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one is COc1cccc(-n2c(Cl)nc3ccc(I)cc3c2=O)c1.
What is the InChIKey of 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is HZBNCKJPUWXQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2/c1-21-11-4-2-3-10(8-11)19-14(20)12-7-9(17)5-6-13(12)18-15(19)16/h2-8H,1H3.
What are the key properties of 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one?
2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 412.61 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 67982185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).