N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine

C19H18BrFN4O — CID 67102852

IUPACN-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1Br
InChIInChI=1S/C19H18BrFN4O/c20-15-10-13(4-5-16(15)21)24-19-23-11-12-2-1-3-17(18(12)25-19)26-14-6-8-22-9-7-14/h1-5,10-11,14,22H,6-9H2,(H,23,24,25)
InChIKeyUYPURLVGOKOKGO-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.41
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine

N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67102852) has the molecular formula C19H18BrFN4O and a molecular weight of 417.28 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67102852
Molecular FormulaC19H18BrFN4O
Molecular Weight417.28 g/mol
Exact Mass416.06
IUPAC NameN-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1Br
InChIInChI=1S/C19H18BrFN4O/c20-15-10-13(4-5-16(15)21)24-19-23-11-12-2-1-3-17(18(12)25-19)26-14-6-8-22-9-7-14/h1-5,10-11,14,22H,6-9H2,(H,23,24,25)
InChIKeyUYPURLVGOKOKGO-UHFFFAOYSA-N
XLogP4.41
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine (CID 67102852) is N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine is Fc1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1Br.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is UYPURLVGOKOKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O/c20-15-10-13(4-5-16(15)21)24-19-23-11-12-2-1-3-17(18(12)25-19)26-14-6-8-22-9-7-14/h1-5,10-11,14,22H,6-9H2,(H,23,24,25).
What are the key properties of N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 417.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).