IOFAOQQQZCLHPY-UHFFFAOYSA-N

Name: IOFAOQQQZCLHPY-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₁₅F₆N₃O₃ — CID 51033809

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide

SMILESNC(=O)Cc1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c(C(F)(F)F)c1

InChIInChI=1S/C24H15F6N3O3/c25-13-7-18(26)16(19(27)8-13)10-33-11-32-23(35)15-9-14(2-3-20(15)33)36-21-4-1-12(6-22(31)34)5-17(21)24(28,29)30/h1-5,7-9,11H,6,10H2,(H2,31,34)

InChIKeyIOFAOQQQZCLHPY-UHFFFAOYSA-N

MW507.39 g/mol

LogP4.70

Rot. Bonds6

About IOFAOQQQZCLHPY-UHFFFAOYSA-N

IOFAOQQQZCLHPY-UHFFFAOYSA-N (PubChem CID 51033809) has the molecular formula C₂₄H₁₅F₆N₃O₃ and a molecular weight of 507.39 g/mol. Its IUPAC name is 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name	IOFAOQQQZCLHPY-UHFFFAOYSA-N
PubChem CID	51033809
Molecular Formula	C₂₄H₁₅F₆N₃O₃
Molecular Weight	507.39 g/mol
Exact Mass	507.10
IUPAC Name	2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide
SMILES	NC(=O)Cc1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c(C(F)(F)F)c1
InChI	InChI=1S/C24H15F6N3O3/c25-13-7-18(26)16(19(27)8-13)10-33-11-32-23(35)15-9-14(2-3-20(15)33)36-21-4-1-12(6-22(31)34)5-17(21)24(28,29)30/h1-5,7-9,11H,6,10H2,(H2,31,34)
InChIKey	IOFAOQQQZCLHPY-UHFFFAOYSA-N
XLogP	4.70
TPSA	87.21 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.39
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of IOFAOQQQZCLHPY-UHFFFAOYSA-N?

The IUPAC name of IOFAOQQQZCLHPY-UHFFFAOYSA-N (CID 51033809) is 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for IOFAOQQQZCLHPY-UHFFFAOYSA-N?

The canonical SMILES for IOFAOQQQZCLHPY-UHFFFAOYSA-N is NC(=O)Cc1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c(C(F)(F)F)c1.

What is the InChIKey of IOFAOQQQZCLHPY-UHFFFAOYSA-N?

The InChIKey is IOFAOQQQZCLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O3/c25-13-7-18(26)16(19(27)8-13)10-33-11-32-23(35)15-9-14(2-3-20(15)33)36-21-4-1-12(6-22(31)34)5-17(21)24(28,29)30/h1-5,7-9,11H,6,10H2,(H2,31,34).

What are the key properties of IOFAOQQQZCLHPY-UHFFFAOYSA-N?

IOFAOQQQZCLHPY-UHFFFAOYSA-N has a molecular weight of 507.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for IOFAOQQQZCLHPY-UHFFFAOYSA-N is sourced from PubChem (CID 51033809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 51033809 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.