8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine

C24H22F3N7 — CID 67102525

IUPAC8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine
SMILESCN1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(C(F)(F)F)nc5)nc34)cn2)CC1
InChIInChI=1S/C24H22F3N7/c1-33-9-11-34(12-10-33)21-8-5-16(13-29-21)19-4-2-3-17-14-30-23(32-22(17)19)31-18-6-7-20(28-15-18)24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,30,31,32)
InChIKeyKURYXUCVTKUOTG-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.60
Rot. Bonds4

About 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine

8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine (PubChem CID 67102525) has the molecular formula C24H22F3N7 and a molecular weight of 465.48 g/mol. Its IUPAC name is 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine.

Molecular Properties

Compound Name8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine
PubChem CID67102525
Molecular FormulaC24H22F3N7
Molecular Weight465.48 g/mol
Exact Mass465.19
IUPAC Name8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine
SMILESCN1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(C(F)(F)F)nc5)nc34)cn2)CC1
InChIInChI=1S/C24H22F3N7/c1-33-9-11-34(12-10-33)21-8-5-16(13-29-21)19-4-2-3-17-14-30-23(32-22(17)19)31-18-6-7-20(28-15-18)24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,30,31,32)
InChIKeyKURYXUCVTKUOTG-UHFFFAOYSA-N
XLogP4.60
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine?
The IUPAC name of 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine (CID 67102525) is 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine.
What is the SMILES notation for 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine?
The canonical SMILES for 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine is CN1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(C(F)(F)F)nc5)nc34)cn2)CC1.
What is the InChIKey of 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine?
The InChIKey is KURYXUCVTKUOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7/c1-33-9-11-34(12-10-33)21-8-5-16(13-29-21)19-4-2-3-17-14-30-23(32-22(17)19)31-18-6-7-20(28-15-18)24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,30,31,32).
What are the key properties of 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine?
8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine has a molecular weight of 465.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-2-amine is sourced from PubChem (CID 67102525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).