N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C20H19F3N4 — CID 3233464

IUPACN-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C20H19F3N4/c21-20(22,23)17-4-2-1-3-15(17)13-5-6-18-16(11-13)19(26-12-25-18)27-14-7-9-24-10-8-14/h1-6,11-12,14,24H,7-10H2,(H,25,26,27)
InChIKeyLJHQKSIEWYRQNS-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.48
Rot. Bonds3

About N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3233464) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3233464
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC NameN-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C20H19F3N4/c21-20(22,23)17-4-2-1-3-15(17)13-5-6-18-16(11-13)19(26-12-25-18)27-14-7-9-24-10-8-14/h1-6,11-12,14,24H,7-10H2,(H,25,26,27)
InChIKeyLJHQKSIEWYRQNS-UHFFFAOYSA-N
XLogP4.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3233464) is N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1.
What is the InChIKey of N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is LJHQKSIEWYRQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c21-20(22,23)17-4-2-1-3-15(17)13-5-6-18-16(11-13)19(26-12-25-18)27-14-7-9-24-10-8-14/h1-6,11-12,14,24H,7-10H2,(H,25,26,27).
What are the key properties of N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 372.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3233464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).