7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline

C13H14ClIN2O2 — CID 130473194

IUPAC7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
SMILESCCCCOc1cc2nc(I)nc(Cl)c2cc1OC
InChIInChI=1S/C13H14ClIN2O2/c1-3-4-5-19-11-7-9-8(6-10(11)18-2)12(14)17-13(15)16-9/h6-7H,3-5H2,1-2H3
InChIKeyZEHNTGUMLIVYEV-UHFFFAOYSA-N
MW392.62 g/mol
LogP4.08
Rot. Bonds5

About 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline

7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline (PubChem CID 130473194) has the molecular formula C13H14ClIN2O2 and a molecular weight of 392.62 g/mol. Its IUPAC name is 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline.

Molecular Properties

Compound Name7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
PubChem CID130473194
Molecular FormulaC13H14ClIN2O2
Molecular Weight392.62 g/mol
Exact Mass391.98
IUPAC Name7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
SMILESCCCCOc1cc2nc(I)nc(Cl)c2cc1OC
InChIInChI=1S/C13H14ClIN2O2/c1-3-4-5-19-11-7-9-8(6-10(11)18-2)12(14)17-13(15)16-9/h6-7H,3-5H2,1-2H3
InChIKeyZEHNTGUMLIVYEV-UHFFFAOYSA-N
XLogP4.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline?
The IUPAC name of 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline (CID 130473194) is 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline.
What is the SMILES notation for 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline?
The canonical SMILES for 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline is CCCCOc1cc2nc(I)nc(Cl)c2cc1OC.
What is the InChIKey of 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline?
The InChIKey is ZEHNTGUMLIVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O2/c1-3-4-5-19-11-7-9-8(6-10(11)18-2)12(14)17-13(15)16-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline?
7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline has a molecular weight of 392.62 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline is sourced from PubChem (CID 130473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).