QSKDNPDFUPKOIU-UHFFFAOYSA-N

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

C₂₀H₂₄F₂N₂S — CID 145092333

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

IUPAC5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-cyclopropyl-1,3-thiazole

SMILESCCC(C)N1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21

InChIInChI=1S/C20H24F2N2S/c1-3-12(2)24-8-4-5-14-9-15(16(19(21)22)10-17(14)24)18-11-23-20(25-18)13-6-7-13/h9-13,19H,3-8H2,1-2H3

InChIKeyQSKDNPDFUPKOIU-UHFFFAOYSA-N

MW362.49 g/mol

LogP6.18

Rot. Bonds5

About QSKDNPDFUPKOIU-UHFFFAOYSA-N

QSKDNPDFUPKOIU-UHFFFAOYSA-N (PubChem CID 145092333) has the molecular formula C₂₀H₂₄F₂N₂S and a molecular weight of 362.49 g/mol. Its IUPAC name is 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name	QSKDNPDFUPKOIU-UHFFFAOYSA-N
PubChem CID	145092333
Molecular Formula	C₂₀H₂₄F₂N₂S
Molecular Weight	362.49 g/mol
Exact Mass	362.16
IUPAC Name	5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-cyclopropyl-1,3-thiazole
SMILES	CCC(C)N1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21
InChI	InChI=1S/C20H24F2N2S/c1-3-12(2)24-8-4-5-14-9-15(16(19(21)22)10-17(14)24)18-11-23-20(25-18)13-6-7-13/h9-13,19H,3-8H2,1-2H3
InChIKey	QSKDNPDFUPKOIU-UHFFFAOYSA-N
XLogP	6.18
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.49
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of QSKDNPDFUPKOIU-UHFFFAOYSA-N (CID 145092333) is 5-[1-butan-2-yl-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-cyclopropyl-1,3-thiazole.

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

The canonical SMILES for QSKDNPDFUPKOIU-UHFFFAOYSA-N is CCC(C)N1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21.

What is the InChIKey of QSKDNPDFUPKOIU-UHFFFAOYSA-N?

The InChIKey is QSKDNPDFUPKOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2S/c1-3-12(2)24-8-4-5-14-9-15(16(19(21)22)10-17(14)24)18-11-23-20(25-18)13-6-7-13/h9-13,19H,3-8H2,1-2H3.

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

QSKDNPDFUPKOIU-UHFFFAOYSA-N has a molecular weight of 362.49 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for QSKDNPDFUPKOIU-UHFFFAOYSA-N is sourced from PubChem (CID 145092333), 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 145092333 — identifiers, structure, computed properties (public domain)

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