N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine

C20H18BrF3N4O — CID 67102859

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFC(F)(F)c1cc(Br)cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1
InChIInChI=1S/C20H18BrF3N4O/c21-14-8-13(20(22,23)24)9-15(10-14)27-19-26-11-12-2-1-3-17(18(12)28-19)29-16-4-6-25-7-5-16/h1-3,8-11,16,25H,4-7H2,(H,26,27,28)
InChIKeyNIZNNQMPAWOTOX-UHFFFAOYSA-N
MW467.29 g/mol
LogP5.29
Rot. Bonds4

About N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine

N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67102859) has the molecular formula C20H18BrF3N4O and a molecular weight of 467.29 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67102859
Molecular FormulaC20H18BrF3N4O
Molecular Weight467.29 g/mol
Exact Mass466.06
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFC(F)(F)c1cc(Br)cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1
InChIInChI=1S/C20H18BrF3N4O/c21-14-8-13(20(22,23)24)9-15(10-14)27-19-26-11-12-2-1-3-17(18(12)28-19)29-16-4-6-25-7-5-16/h1-3,8-11,16,25H,4-7H2,(H,26,27,28)
InChIKeyNIZNNQMPAWOTOX-UHFFFAOYSA-N
XLogP5.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.29
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
N-(3-bromophenyl)-8-methoxyquinazolin-4-amine
CID 5328049
4-[2-[(7-Fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513535
4-[7-Fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513551
6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine
CID 702722
N-(3-bromophenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 139466205
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
4-N-benzyl-8-methoxy-2-N-pyridin-2-ylquinazoline-2,4-diamine
CID 89946488
(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
5-fluoro-4-morpholin-4-yl-N-[2-(quinolin-8-yloxy)ethyl]pyrimidin-2-amine
CID 134702076

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine (CID 67102859) is N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine is FC(F)(F)c1cc(Br)cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is NIZNNQMPAWOTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF3N4O/c21-14-8-13(20(22,23)24)9-15(10-14)27-19-26-11-12-2-1-3-17(18(12)28-19)29-16-4-6-25-7-5-16/h1-3,8-11,16,25H,4-7H2,(H,26,27,28).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 467.29 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67102859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).