6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one

C12H13IN2O — CID 135428135

IUPAC6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
SMILESCc1nc2cc(C(C)C)c(I)cc2c(=O)[nH]1
InChIInChI=1S/C12H13IN2O/c1-6(2)8-5-11-9(4-10(8)13)12(16)15-7(3)14-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFFQZMHSASKYTAT-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.96
Rot. Bonds1

About 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one

6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one (PubChem CID 135428135) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
PubChem CID135428135
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC Name6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
SMILESCc1nc2cc(C(C)C)c(I)cc2c(=O)[nH]1
InChIInChI=1S/C12H13IN2O/c1-6(2)8-5-11-9(4-10(8)13)12(16)15-7(3)14-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFFQZMHSASKYTAT-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.96
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

7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
CID 156537248
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097284
6-iodo-2-propan-2-yl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097427
ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217588
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione
CID 156548217
CID 177158828
CID 177158828
6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 165489014
(6-fluoro-2-methyl-4-oxo-3H-quinazolin-7-yl)boronic acid
CID 166092343
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one (CID 135428135) is 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one is Cc1nc2cc(C(C)C)c(I)cc2c(=O)[nH]1.
What is the InChIKey of 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is FFQZMHSASKYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c1-6(2)8-5-11-9(4-10(8)13)12(16)15-7(3)14-11/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 328.15 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135428135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).