8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine

C23H25F3N4O — CID 67102520

IUPAC8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(F)(F)F)cc4)nc23)CC1
InChIInChI=1S/C23H25F3N4O/c1-15(2)30-12-10-19(11-13-30)31-20-5-3-4-16-14-27-22(29-21(16)20)28-18-8-6-17(7-9-18)23(24,25)26/h3-9,14-15,19H,10-13H2,1-2H3,(H,27,28,29)
InChIKeyTXSXFZJEVOHECD-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.64
Rot. Bonds5

About 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine

8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine (PubChem CID 67102520) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine
PubChem CID67102520
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(F)(F)F)cc4)nc23)CC1
InChIInChI=1S/C23H25F3N4O/c1-15(2)30-12-10-19(11-13-30)31-20-5-3-4-16-14-27-22(29-21(16)20)28-18-8-6-17(7-9-18)23(24,25)26/h3-9,14-15,19H,10-13H2,1-2H3,(H,27,28,29)
InChIKeyTXSXFZJEVOHECD-UHFFFAOYSA-N
XLogP5.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine?
The IUPAC name of 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine (CID 67102520) is 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine?
The canonical SMILES for 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine is CC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(F)(F)F)cc4)nc23)CC1.
What is the InChIKey of 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine?
The InChIKey is TXSXFZJEVOHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-15(2)30-12-10-19(11-13-30)31-20-5-3-4-16-14-27-22(29-21(16)20)28-18-8-6-17(7-9-18)23(24,25)26/h3-9,14-15,19H,10-13H2,1-2H3,(H,27,28,29).
What are the key properties of 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine?
8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine has a molecular weight of 430.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propan-2-ylpiperidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 67102520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).