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

C19H18BrFN4O — CID 67102272

IUPAC5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)cc1
InChIInChI=1S/C19H18BrFN4O/c20-16-5-6-17(26-14-7-9-22-10-8-14)18-15(16)11-23-19(25-18)24-13-3-1-12(21)2-4-13/h1-6,11,14,22H,7-10H2,(H,23,24,25)
InChIKeyQZOOCXCZKGDQTQ-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.41
Rot. Bonds4

About 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine

5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67102272) has the molecular formula C19H18BrFN4O and a molecular weight of 417.28 g/mol. Its IUPAC name is 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67102272
Molecular FormulaC19H18BrFN4O
Molecular Weight417.28 g/mol
Exact Mass416.06
IUPAC Name5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)cc1
InChIInChI=1S/C19H18BrFN4O/c20-16-5-6-17(26-14-7-9-22-10-8-14)18-15(16)11-23-19(25-18)24-13-3-1-12(21)2-4-13/h1-6,11,14,22H,7-10H2,(H,23,24,25)
InChIKeyQZOOCXCZKGDQTQ-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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Related Compounds

N-(3-bromophenyl)-8-methoxyquinazolin-4-amine
CID 5328049
8-(3-Dimethylamino-propoxy)-N*2*-(4-fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10072913
2-(2-Methyl-4-fluorophenylamino)-4-(N-methylphenylamino)-8-(3-morpholinopropoxy)quinazoline
CID 11755761
4-[2-[(7-Fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513535
4-(2-pyridinyl)-N-[2-(8-quinolinyloxy)ethyl]-2-pyrimidinamine
CID 74239449
[4-Amino-6-(8-quinolyloxymethyl)(1,3,5-triazin-2-yl)]phenylamine
CID 899251
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-fluorophenyl)methyl]-8-methoxyquinazolin-4-amine
CID 49830256
4-N-benzyl-8-methoxy-2-N-pyridin-2-ylquinazoline-2,4-diamine
CID 89946488
4-[2-(Quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513559
(3-Bromo-phenyl)-(6-butoxy-quinazolin-4-yl)-amine
CID 44306495
(3-Bromo-phenyl)-(6-isopropoxy-quinazolin-4-yl)-amine
CID 44306496
6-bromo-4-[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]-2,3-dihydro-1,4-benzoxazine
CID 168273116

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine (CID 67102272) is 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine is Fc1ccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)cc1.
What is the InChIKey of 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is QZOOCXCZKGDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O/c20-16-5-6-17(26-14-7-9-22-10-8-14)18-15(16)11-23-19(25-18)24-13-3-1-12(21)2-4-13/h1-6,11,14,22H,7-10H2,(H,23,24,25).
What are the key properties of 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
5-bromo-N-(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 5-bromo-N-(4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67102272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).