6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine

C15H11FIN3 — CID 175809045

IUPAC6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
SMILESCN(c1cccc(I)c1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H11FIN3/c1-20(12-4-2-3-11(17)8-12)15-13-7-10(16)5-6-14(13)18-9-19-15/h2-9H,1H3
InChIKeyFITVYJBBQJQXFJ-UHFFFAOYSA-N
MW379.18 g/mol
LogP4.14
Rot. Bonds2

About 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine

6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine (PubChem CID 175809045) has the molecular formula C15H11FIN3 and a molecular weight of 379.18 g/mol. Its IUPAC name is 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
PubChem CID175809045
Molecular FormulaC15H11FIN3
Molecular Weight379.18 g/mol
Exact Mass379.00
IUPAC Name6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
SMILESCN(c1cccc(I)c1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H11FIN3/c1-20(12-4-2-3-11(17)8-12)15-13-7-10(16)5-6-14(13)18-9-19-15/h2-9H,1H3
InChIKeyFITVYJBBQJQXFJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 54.14
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

6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 168873008
N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66319285
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 133300967
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
CID 127034132
N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
CID 133398560
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
4-N-(3-fluorophenyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80817921
6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine
CID 156536311
4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
CID 65336690
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine (CID 175809045) is 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine is CN(c1cccc(I)c1)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine?
The InChIKey is FITVYJBBQJQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3/c1-20(12-4-2-3-11(17)8-12)15-13-7-10(16)5-6-14(13)18-9-19-15/h2-9H,1H3.
What are the key properties of 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine?
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine has a molecular weight of 379.18 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 175809045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).