PWOUSMJHBTWQFJ-UHFFFAOYSA-N

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

C₂₃H₁₈F₃N₃O₄S — CID 151531546

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

IUPAC2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

SMILESCc1cnc2ccccc2c1N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C12CC2C

InChIInChI=1S/C23H18F3N3O4S/c1-13-12-27-18-6-4-3-5-17(18)19(13)29-21(31)28(20(30)22(29)11-14(22)2)15-7-9-16(10-8-15)34(32,33)23(24,25)26/h3-10,12,14H,11H2,1-2H3

InChIKeyPWOUSMJHBTWQFJ-UHFFFAOYSA-N

MW489.48 g/mol

LogP4.59

Rot. Bonds3

About PWOUSMJHBTWQFJ-UHFFFAOYSA-N

PWOUSMJHBTWQFJ-UHFFFAOYSA-N (PubChem CID 151531546) has the molecular formula C₂₃H₁₈F₃N₃O₄S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name	PWOUSMJHBTWQFJ-UHFFFAOYSA-N
PubChem CID	151531546
Molecular Formula	C₂₃H₁₈F₃N₃O₄S
Molecular Weight	489.48 g/mol
Exact Mass	489.10
IUPAC Name	2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILES	Cc1cnc2ccccc2c1N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C12CC2C
InChI	InChI=1S/C23H18F3N3O4S/c1-13-12-27-18-6-4-3-5-17(18)19(13)29-21(31)28(20(30)22(29)11-14(22)2)15-7-9-16(10-8-15)34(32,33)23(24,25)26/h3-10,12,14H,11H2,1-2H3
InChIKey	PWOUSMJHBTWQFJ-UHFFFAOYSA-N
XLogP	4.59
TPSA	87.65 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.48
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of PWOUSMJHBTWQFJ-UHFFFAOYSA-N (CID 151531546) is 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

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

The canonical SMILES for PWOUSMJHBTWQFJ-UHFFFAOYSA-N is Cc1cnc2ccccc2c1N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C12CC2C.

What is the InChIKey of PWOUSMJHBTWQFJ-UHFFFAOYSA-N?

The InChIKey is PWOUSMJHBTWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c1-13-12-27-18-6-4-3-5-17(18)19(13)29-21(31)28(20(30)22(29)11-14(22)2)15-7-9-16(10-8-15)34(32,33)23(24,25)26/h3-10,12,14H,11H2,1-2H3.

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

PWOUSMJHBTWQFJ-UHFFFAOYSA-N has a molecular weight of 489.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for PWOUSMJHBTWQFJ-UHFFFAOYSA-N is sourced from PubChem (CID 151531546), 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 151531546 — identifiers, structure, computed properties (public domain)

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