7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine

C20H15ClF6N4 — CID 2766443

IUPAC7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)nc2n1
InChIInChI=1S/C20H15ClF6N4/c21-12-1-3-13(4-2-12)30-7-9-31(10-8-30)17-6-5-14-15(19(22,23)24)11-16(20(25,26)27)28-18(14)29-17/h1-6,11H,7-10H2
InChIKeyLLHXSMONYOQRLC-UHFFFAOYSA-N
MW460.81 g/mol
LogP5.65
Rot. Bonds2

About 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine

7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 2766443) has the molecular formula C20H15ClF6N4 and a molecular weight of 460.81 g/mol. Its IUPAC name is 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID2766443
Molecular FormulaC20H15ClF6N4
Molecular Weight460.81 g/mol
Exact Mass460.09
IUPAC Name7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)nc2n1
InChIInChI=1S/C20H15ClF6N4/c21-12-1-3-13(4-2-12)30-7-9-31(10-8-30)17-6-5-14-15(19(22,23)24)11-16(20(25,26)27)28-18(14)29-17/h1-6,11H,7-10H2
InChIKeyLLHXSMONYOQRLC-UHFFFAOYSA-N
XLogP5.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.81
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 2766443) is 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)nc2n1.
What is the InChIKey of 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is LLHXSMONYOQRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF6N4/c21-12-1-3-13(4-2-12)30-7-9-31(10-8-30)17-6-5-14-15(19(22,23)24)11-16(20(25,26)27)28-18(14)29-17/h1-6,11H,7-10H2.
What are the key properties of 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 460.81 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-chlorophenyl)piperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 2766443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).