UQMBEWWBSSUDTH-XVAXZDLZSA-N

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

C₂₆H₃₆F₃N₃O₂ — CID 162599182

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

IUPAC(1R)-N-[3-ethyl-6-(trifluoromethyl)-1,2-dihydroquinolin-4-yl]-4-(oxan-4-ylamino)-2-propan-2-ylcyclopentane-1-carboxamide

SMILESCCC1=C(NC(=O)[C@@H]2CC(NC3CCOCC3)CC2C(C)C)c2cc(C(F)(F)F)ccc2NC1

InChIInChI=1S/C26H36F3N3O2/c1-4-16-14-30-23-6-5-17(26(27,28)29)11-22(23)24(16)32-25(33)21-13-19(12-20(21)15(2)3)31-18-7-9-34-10-8-18/h5-6,11,15,18-21,30-31H,4,7-10,12-14H2,1-3H3,(H,32,33)/t19?,20?,21-/m1/s1

InChIKeyUQMBEWWBSSUDTH-XVAXZDLZSA-N

MW479.59 g/mol

LogP5.19

Rot. Bonds6

About UQMBEWWBSSUDTH-XVAXZDLZSA-N

UQMBEWWBSSUDTH-XVAXZDLZSA-N (PubChem CID 162599182) has the molecular formula C₂₆H₃₆F₃N₃O₂ and a molecular weight of 479.59 g/mol. Its IUPAC name is (1R)-N-[3-ethyl-6-(trifluoromethyl)-1,2-dihydroquinolin-4-yl]-4-(oxan-4-ylamino)-2-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name	UQMBEWWBSSUDTH-XVAXZDLZSA-N
PubChem CID	162599182
Molecular Formula	C₂₆H₃₆F₃N₃O₂
Molecular Weight	479.59 g/mol
Exact Mass	479.28
IUPAC Name	(1R)-N-[3-ethyl-6-(trifluoromethyl)-1,2-dihydroquinolin-4-yl]-4-(oxan-4-ylamino)-2-propan-2-ylcyclopentane-1-carboxamide
SMILES	CCC1=C(NC(=O)[C@@H]2CC(NC3CCOCC3)CC2C(C)C)c2cc(C(F)(F)F)ccc2NC1
InChI	InChI=1S/C26H36F3N3O2/c1-4-16-14-30-23-6-5-17(26(27,28)29)11-22(23)24(16)32-25(33)21-13-19(12-20(21)15(2)3)31-18-7-9-34-10-8-18/h5-6,11,15,18-21,30-31H,4,7-10,12-14H2,1-3H3,(H,32,33)/t19?,20?,21-/m1/s1
InChIKey	UQMBEWWBSSUDTH-XVAXZDLZSA-N
XLogP	5.19
TPSA	62.39 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of UQMBEWWBSSUDTH-XVAXZDLZSA-N?

The IUPAC name of UQMBEWWBSSUDTH-XVAXZDLZSA-N (CID 162599182) is (1R)-N-[3-ethyl-6-(trifluoromethyl)-1,2-dihydroquinolin-4-yl]-4-(oxan-4-ylamino)-2-propan-2-ylcyclopentane-1-carboxamide.

What is the SMILES notation for UQMBEWWBSSUDTH-XVAXZDLZSA-N?

The canonical SMILES for UQMBEWWBSSUDTH-XVAXZDLZSA-N is CCC1=C(NC(=O)[C@@H]2CC(NC3CCOCC3)CC2C(C)C)c2cc(C(F)(F)F)ccc2NC1.

What is the InChIKey of UQMBEWWBSSUDTH-XVAXZDLZSA-N?

The InChIKey is UQMBEWWBSSUDTH-XVAXZDLZSA-N. The full InChI is InChI=1S/C26H36F3N3O2/c1-4-16-14-30-23-6-5-17(26(27,28)29)11-22(23)24(16)32-25(33)21-13-19(12-20(21)15(2)3)31-18-7-9-34-10-8-18/h5-6,11,15,18-21,30-31H,4,7-10,12-14H2,1-3H3,(H,32,33)/t19?,20?,21-/m1/s1.

What are the key properties of UQMBEWWBSSUDTH-XVAXZDLZSA-N?

UQMBEWWBSSUDTH-XVAXZDLZSA-N has a molecular weight of 479.59 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for UQMBEWWBSSUDTH-XVAXZDLZSA-N is sourced from PubChem (CID 162599182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 162599182 — identifiers, structure, computed properties (public domain)

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