SQFYQBBFTIYWHK-UHFFFAOYSA-N

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

C₃₀H₃₁ClF₃N₅ — CID 11692504

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

IUPACN-[2-(2-chlorophenyl)ethyl]-2-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

SMILESCC1CC(C)CN(Cc2nc(NCCc3ccccc3Cl)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)C1

InChIInChI=1S/C30H31ClF3N5/c1-19-14-20(2)17-39(16-19)18-27-37-26-15-22(28-24(30(32,33)34)7-5-12-35-28)9-10-23(26)29(38-27)36-13-11-21-6-3-4-8-25(21)31/h3-10,12,15,19-20H,11,13-14,16-18H2,1-2H3,(H,36,37,38)

InChIKeySQFYQBBFTIYWHK-UHFFFAOYSA-N

MW554.06 g/mol

LogP7.50

Rot. Bonds7

About SQFYQBBFTIYWHK-UHFFFAOYSA-N

SQFYQBBFTIYWHK-UHFFFAOYSA-N (PubChem CID 11692504) has the molecular formula C₃₀H₃₁ClF₃N₅ and a molecular weight of 554.06 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name	SQFYQBBFTIYWHK-UHFFFAOYSA-N
PubChem CID	11692504
Molecular Formula	C₃₀H₃₁ClF₃N₅
Molecular Weight	554.06 g/mol
Exact Mass	553.22
IUPAC Name	N-[2-(2-chlorophenyl)ethyl]-2-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILES	CC1CC(C)CN(Cc2nc(NCCc3ccccc3Cl)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)C1
InChI	InChI=1S/C30H31ClF3N5/c1-19-14-20(2)17-39(16-19)18-27-37-26-15-22(28-24(30(32,33)34)7-5-12-35-28)9-10-23(26)29(38-27)36-13-11-21-6-3-4-8-25(21)31/h3-10,12,15,19-20H,11,13-14,16-18H2,1-2H3,(H,36,37,38)
InChIKey	SQFYQBBFTIYWHK-UHFFFAOYSA-N
XLogP	7.50
TPSA	53.94 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.06
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of SQFYQBBFTIYWHK-UHFFFAOYSA-N (CID 11692504) is N-[2-(2-chlorophenyl)ethyl]-2-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

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

The canonical SMILES for SQFYQBBFTIYWHK-UHFFFAOYSA-N is CC1CC(C)CN(Cc2nc(NCCc3ccccc3Cl)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)C1.

What is the InChIKey of SQFYQBBFTIYWHK-UHFFFAOYSA-N?

The InChIKey is SQFYQBBFTIYWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF3N5/c1-19-14-20(2)17-39(16-19)18-27-37-26-15-22(28-24(30(32,33)34)7-5-12-35-28)9-10-23(26)29(38-27)36-13-11-21-6-3-4-8-25(21)31/h3-10,12,15,19-20H,11,13-14,16-18H2,1-2H3,(H,36,37,38).

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

SQFYQBBFTIYWHK-UHFFFAOYSA-N has a molecular weight of 554.06 g/mol, XLogP of 7.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SQFYQBBFTIYWHK-UHFFFAOYSA-N is sourced from PubChem (CID 11692504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 11692504 — identifiers, structure, computed properties (public domain)

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