6-iodo-7-methoxy-4aH-quinazolin-4-one

C9H7IN2O2 — CID 73197381

IUPAC6-iodo-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1I
InChIInChI=1S/C9H7IN2O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-5H,1H3
InChIKeyFZRBZOXKOBQHEP-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.47
Rot. Bonds1

About 6-iodo-7-methoxy-4aH-quinazolin-4-one

6-iodo-7-methoxy-4aH-quinazolin-4-one (PubChem CID 73197381) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is 6-iodo-7-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-7-methoxy-4aH-quinazolin-4-one
PubChem CID73197381
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Name6-iodo-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1I
InChIInChI=1S/C9H7IN2O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-5H,1H3
InChIKeyFZRBZOXKOBQHEP-UHFFFAOYSA-N
XLogP1.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
6-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 73448865
7-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 76026790
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
CID 71650931
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
5,7-dimethoxy-4aH-quinazolin-4-one
CID 73158327

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 6-iodo-7-methoxy-4aH-quinazolin-4-one (CID 73197381) is 6-iodo-7-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 6-iodo-7-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 6-iodo-7-methoxy-4aH-quinazolin-4-one is COC1=CC2=NC=NC(=O)C2C=C1I.
What is the InChIKey of 6-iodo-7-methoxy-4aH-quinazolin-4-one?
The InChIKey is FZRBZOXKOBQHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-5H,1H3.
What are the key properties of 6-iodo-7-methoxy-4aH-quinazolin-4-one?
6-iodo-7-methoxy-4aH-quinazolin-4-one has a molecular weight of 302.07 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 73197381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).