WPPVJOPVDKIKIJ-UHFFFAOYSA-N

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

C₂₁H₂₆F₂N₂S — CID 145092304

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

IUPAC2-cyclopropyl-5-[7-(difluoromethyl)-1-(2-methylbutyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole

SMILESCCC(C)CN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21

InChIInChI=1S/C21H26F2N2S/c1-3-13(2)12-25-8-4-5-15-9-16(17(20(22)23)10-18(15)25)19-11-24-21(26-19)14-6-7-14/h9-11,13-14,20H,3-8,12H2,1-2H3

InChIKeyWPPVJOPVDKIKIJ-UHFFFAOYSA-N

MW376.52 g/mol

LogP6.42

Rot. Bonds6

About WPPVJOPVDKIKIJ-UHFFFAOYSA-N

WPPVJOPVDKIKIJ-UHFFFAOYSA-N (PubChem CID 145092304) has the molecular formula C₂₁H₂₆F₂N₂S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-cyclopropyl-5-[7-(difluoromethyl)-1-(2-methylbutyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name	WPPVJOPVDKIKIJ-UHFFFAOYSA-N
PubChem CID	145092304
Molecular Formula	C₂₁H₂₆F₂N₂S
Molecular Weight	376.52 g/mol
Exact Mass	376.18
IUPAC Name	2-cyclopropyl-5-[7-(difluoromethyl)-1-(2-methylbutyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole
SMILES	CCC(C)CN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21
InChI	InChI=1S/C21H26F2N2S/c1-3-13(2)12-25-8-4-5-15-9-16(17(20(22)23)10-18(15)25)19-11-24-21(26-19)14-6-7-14/h9-11,13-14,20H,3-8,12H2,1-2H3
InChIKey	WPPVJOPVDKIKIJ-UHFFFAOYSA-N
XLogP	6.42
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.52
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of WPPVJOPVDKIKIJ-UHFFFAOYSA-N (CID 145092304) is 2-cyclopropyl-5-[7-(difluoromethyl)-1-(2-methylbutyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole.

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

The canonical SMILES for WPPVJOPVDKIKIJ-UHFFFAOYSA-N is CCC(C)CN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21.

What is the InChIKey of WPPVJOPVDKIKIJ-UHFFFAOYSA-N?

The InChIKey is WPPVJOPVDKIKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2S/c1-3-13(2)12-25-8-4-5-15-9-16(17(20(22)23)10-18(15)25)19-11-24-21(26-19)14-6-7-14/h9-11,13-14,20H,3-8,12H2,1-2H3.

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

WPPVJOPVDKIKIJ-UHFFFAOYSA-N has a molecular weight of 376.52 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for WPPVJOPVDKIKIJ-UHFFFAOYSA-N is sourced from PubChem (CID 145092304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 145092304 — identifiers, structure, computed properties (public domain)

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