7-iodo-2-methyl-3H-quinazolin-4-one

C9H7IN2O — CID 135742316

IUPAC7-iodo-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cc(I)ccc2c(=O)[nH]1
InChIInChI=1S/C9H7IN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyLTNWHSJXHNYNOF-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.84
Rot. Bonds

About 7-iodo-2-methyl-3H-quinazolin-4-one

7-iodo-2-methyl-3H-quinazolin-4-one (PubChem CID 135742316) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 7-iodo-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-iodo-2-methyl-3H-quinazolin-4-one
PubChem CID135742316
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name7-iodo-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cc(I)ccc2c(=O)[nH]1
InChIInChI=1S/C9H7IN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyLTNWHSJXHNYNOF-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-iodo-3-methyl-2H-benzo[f]quinazolin-1-one
CID 135838229
CID 177158828
CID 177158828
7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 136757886
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
CID 135428135
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
ethane;8-iodo-2,7-dimethyl-3H-quinazolin-4-one
CID 136653935
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-methyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 135436386
ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217588
2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
CID 156537248
N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
CID 136619437

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 7-iodo-2-methyl-3H-quinazolin-4-one (CID 135742316) is 7-iodo-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 7-iodo-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 7-iodo-2-methyl-3H-quinazolin-4-one is Cc1nc2cc(I)ccc2c(=O)[nH]1.
What is the InChIKey of 7-iodo-2-methyl-3H-quinazolin-4-one?
The InChIKey is LTNWHSJXHNYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13).
What are the key properties of 7-iodo-2-methyl-3H-quinazolin-4-one?
7-iodo-2-methyl-3H-quinazolin-4-one has a molecular weight of 286.07 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135742316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).