N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine

C18H15BrFN3 — CID 171358732

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCc4cc(Br)ccc4C3)c2c1
InChIInChI=1S/C18H15BrFN3/c19-13-3-1-12-8-15(5-2-11(12)7-13)23-18-16-9-14(20)4-6-17(16)21-10-22-18/h1,3-4,6-7,9-10,15H,2,5,8H2,(H,21,22,23)
InChIKeyFWFDZYQRVKNRDY-UHFFFAOYSA-N
MW372.24 g/mol
LogP4.50
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine (PubChem CID 171358732) has the molecular formula C18H15BrFN3 and a molecular weight of 372.24 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
PubChem CID171358732
Molecular FormulaC18H15BrFN3
Molecular Weight372.24 g/mol
Exact Mass371.04
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCc4cc(Br)ccc4C3)c2c1
InChIInChI=1S/C18H15BrFN3/c19-13-3-1-12-8-15(5-2-11(12)7-13)23-18-16-9-14(20)4-6-17(16)21-10-22-18/h1,3-4,6-7,9-10,15H,2,5,8H2,(H,21,22,23)
InChIKeyFWFDZYQRVKNRDY-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine (CID 171358732) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NC3CCc4cc(Br)ccc4C3)c2c1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine?
The InChIKey is FWFDZYQRVKNRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3/c19-13-3-1-12-8-15(5-2-11(12)7-13)23-18-16-9-14(20)4-6-17(16)21-10-22-18/h1,3-4,6-7,9-10,15H,2,5,8H2,(H,21,22,23).
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine has a molecular weight of 372.24 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 171358732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).