7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline

C19H17F4N5 — CID 171334705

IUPAC7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
SMILESFc1ccc2c(N3CCN(Cc4ccc(C(F)(F)F)cn4)CC3)ncnc2c1
InChIInChI=1S/C19H17F4N5/c20-14-2-4-16-17(9-14)25-12-26-18(16)28-7-5-27(6-8-28)11-15-3-1-13(10-24-15)19(21,22)23/h1-4,9-10,12H,5-8,11H2
InChIKeyKSSODZSHGKNAEM-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.50
Rot. Bonds3

About 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline

7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline (PubChem CID 171334705) has the molecular formula C19H17F4N5 and a molecular weight of 391.37 g/mol. Its IUPAC name is 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
PubChem CID171334705
Molecular FormulaC19H17F4N5
Molecular Weight391.37 g/mol
Exact Mass391.14
IUPAC Name7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
SMILESFc1ccc2c(N3CCN(Cc4ccc(C(F)(F)F)cn4)CC3)ncnc2c1
InChIInChI=1S/C19H17F4N5/c20-14-2-4-16-17(9-14)25-12-26-18(16)28-7-5-27(6-8-28)11-15-3-1-13(10-24-15)19(21,22)23/h1-4,9-10,12H,5-8,11H2
InChIKeyKSSODZSHGKNAEM-UHFFFAOYSA-N
XLogP3.50
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline (CID 171334705) is 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline is Fc1ccc2c(N3CCN(Cc4ccc(C(F)(F)F)cn4)CC3)ncnc2c1.
What is the InChIKey of 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline?
The InChIKey is KSSODZSHGKNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5/c20-14-2-4-16-17(9-14)25-12-26-18(16)28-7-5-27(6-8-28)11-15-3-1-13(10-24-15)19(21,22)23/h1-4,9-10,12H,5-8,11H2.
What are the key properties of 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline?
7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline has a molecular weight of 391.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 171334705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).