N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine

C18H15FIN3 — CID 90428484

IUPACN-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine
SMILESFC1c2ccccc2CCC1Nc1ncnc2ccc(I)cc12
InChIInChI=1S/C18H15FIN3/c19-17-13-4-2-1-3-11(13)5-7-16(17)23-18-14-9-12(20)6-8-15(14)21-10-22-18/h1-4,6,8-10,16-17H,5,7H2,(H,21,22,23)
InChIKeyMUBNGNXBJHWVPI-UHFFFAOYSA-N
MW419.24 g/mol
LogP4.67
Rot. Bonds2

About N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine

N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine (PubChem CID 90428484) has the molecular formula C18H15FIN3 and a molecular weight of 419.24 g/mol. Its IUPAC name is N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine
PubChem CID90428484
Molecular FormulaC18H15FIN3
Molecular Weight419.24 g/mol
Exact Mass419.03
IUPAC NameN-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine
SMILESFC1c2ccccc2CCC1Nc1ncnc2ccc(I)cc12
InChIInChI=1S/C18H15FIN3/c19-17-13-4-2-1-3-11(13)5-7-16(17)23-18-14-9-12(20)6-8-15(14)21-10-22-18/h1-4,6,8-10,16-17H,5,7H2,(H,21,22,23)
InChIKeyMUBNGNXBJHWVPI-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine?
The IUPAC name of N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine (CID 90428484) is N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine.
What is the SMILES notation for N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine?
The canonical SMILES for N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine is FC1c2ccccc2CCC1Nc1ncnc2ccc(I)cc12.
What is the InChIKey of N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine?
The InChIKey is MUBNGNXBJHWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3/c19-17-13-4-2-1-3-11(13)5-7-16(17)23-18-14-9-12(20)6-8-15(14)21-10-22-18/h1-4,6,8-10,16-17H,5,7H2,(H,21,22,23).
What are the key properties of N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine?
N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine has a molecular weight of 419.24 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-iodoquinazolin-4-amine is sourced from PubChem (CID 90428484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).