2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline

C25H19Cl2F3N4 — CID 46085043

IUPAC2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
SMILESFC(F)(F)c1cccc(N2CCN(c3nc(-c4cccc(Cl)c4Cl)nc4ccccc34)CC2)c1
InChIInChI=1S/C25H19Cl2F3N4/c26-20-9-4-8-19(22(20)27)23-31-21-10-2-1-7-18(21)24(32-23)34-13-11-33(12-14-34)17-6-3-5-16(15-17)25(28,29)30/h1-10,15H,11-14H2
InChIKeyNKJYWRSDEUUEMI-UHFFFAOYSA-N
MW503.36 g/mol
LogP6.95
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline

2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline (PubChem CID 46085043) has the molecular formula C25H19Cl2F3N4 and a molecular weight of 503.36 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
PubChem CID46085043
Molecular FormulaC25H19Cl2F3N4
Molecular Weight503.36 g/mol
Exact Mass502.09
IUPAC Name2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
SMILESFC(F)(F)c1cccc(N2CCN(c3nc(-c4cccc(Cl)c4Cl)nc4ccccc34)CC2)c1
InChIInChI=1S/C25H19Cl2F3N4/c26-20-9-4-8-19(22(20)27)23-31-21-10-2-1-7-18(21)24(32-23)34-13-11-33(12-14-34)17-6-3-5-16(15-17)25(28,29)30/h1-10,15H,11-14H2
InChIKeyNKJYWRSDEUUEMI-UHFFFAOYSA-N
XLogP6.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.36
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline with MolForge

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Related Compounds

2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008
2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline
CID 46096483
[2-(2-fluorophenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4557350
[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 25054133
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135569887
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 22579321
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 20944843

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline?
The IUPAC name of 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline (CID 46085043) is 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline is FC(F)(F)c1cccc(N2CCN(c3nc(-c4cccc(Cl)c4Cl)nc4ccccc34)CC2)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline?
The InChIKey is NKJYWRSDEUUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N4/c26-20-9-4-8-19(22(20)27)23-31-21-10-2-1-7-18(21)24(32-23)34-13-11-33(12-14-34)17-6-3-5-16(15-17)25(28,29)30/h1-10,15H,11-14H2.
What are the key properties of 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline?
2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline has a molecular weight of 503.36 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 46085043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).