2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium

C15H10FIN2O — CID 162344912

IUPAC2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium
SMILESCc1c2cc(I)ccc2nc(-c2ccc(F)cc2)[n+]1[O-]
InChIInChI=1S/C15H10FIN2O/c1-9-13-8-12(17)6-7-14(13)18-15(19(9)20)10-2-4-11(16)5-3-10/h2-8H,1H3
InChIKeyWCWSCJRREXICMS-UHFFFAOYSA-N
MW380.16 g/mol
LogP3.59
Rot. Bonds1

About 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium

2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium (PubChem CID 162344912) has the molecular formula C15H10FIN2O and a molecular weight of 380.16 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium
PubChem CID162344912
Molecular FormulaC15H10FIN2O
Molecular Weight380.16 g/mol
Exact Mass379.98
IUPAC Name2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium
SMILESCc1c2cc(I)ccc2nc(-c2ccc(F)cc2)[n+]1[O-]
InChIInChI=1S/C15H10FIN2O/c1-9-13-8-12(17)6-7-14(13)18-15(19(9)20)10-2-4-11(16)5-3-10/h2-8H,1H3
InChIKeyWCWSCJRREXICMS-UHFFFAOYSA-N
XLogP3.59
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-fluorophenyl)-7-iodoquinoline
CID 87264840
4-bromo-6-iodo-2-methylquinazoline
CID 106584118
6-iodo-2-methylquinolin-4-amine
CID 62201802
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine
CID 58329328
3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
CID 92919296
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215
6-iodo-4-methoxy-2-methylquinoline
CID 82581194
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
5-(4-fluorophenyl)-2,8-diiododibenzothiophen-5-ium
CID 163823538
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium?
The IUPAC name of 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium (CID 162344912) is 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium.
What is the SMILES notation for 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium?
The canonical SMILES for 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium is Cc1c2cc(I)ccc2nc(-c2ccc(F)cc2)[n+]1[O-].
What is the InChIKey of 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium?
The InChIKey is WCWSCJRREXICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O/c1-9-13-8-12(17)6-7-14(13)18-15(19(9)20)10-2-4-11(16)5-3-10/h2-8H,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium?
2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium has a molecular weight of 380.16 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-iodo-4-methyl-3-oxidoquinazolin-3-ium is sourced from PubChem (CID 162344912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).