ZNTXYYMSBAUURX-UHFFFAOYSA-N

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

C₁₈H₁₄F₂N₄O₂ — CID 118262772

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

IUPAC11-[3-(difluoromethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-3-one

SMILESCn1c2cc[nH]c(=O)c2c2ccc(Nc3cccc(OC(F)F)c3)nc21

InChIInChI=1S/C18H14F2N4O2/c1-24-13-7-8-21-17(25)15(13)12-5-6-14(23-16(12)24)22-10-3-2-4-11(9-10)26-18(19)20/h2-9,18H,1H3,(H,21,25)(H,22,23)

InChIKeyZNTXYYMSBAUURX-UHFFFAOYSA-N

MW356.33 g/mol

LogP3.76

Rot. Bonds4

About ZNTXYYMSBAUURX-UHFFFAOYSA-N

ZNTXYYMSBAUURX-UHFFFAOYSA-N (PubChem CID 118262772) has the molecular formula C₁₈H₁₄F₂N₄O₂ and a molecular weight of 356.33 g/mol. Its IUPAC name is 11-[3-(difluoromethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-3-one.

Molecular Properties

Compound Name	ZNTXYYMSBAUURX-UHFFFAOYSA-N
PubChem CID	118262772
Molecular Formula	C₁₈H₁₄F₂N₄O₂
Molecular Weight	356.33 g/mol
Exact Mass	356.11
IUPAC Name	11-[3-(difluoromethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-3-one
SMILES	Cn1c2cc[nH]c(=O)c2c2ccc(Nc3cccc(OC(F)F)c3)nc21
InChI	InChI=1S/C18H14F2N4O2/c1-24-13-7-8-21-17(25)15(13)12-5-6-14(23-16(12)24)22-10-3-2-4-11(9-10)26-18(19)20/h2-9,18H,1H3,(H,21,25)(H,22,23)
InChIKey	ZNTXYYMSBAUURX-UHFFFAOYSA-N
XLogP	3.76
TPSA	71.94 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.33
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ZNTXYYMSBAUURX-UHFFFAOYSA-N (CID 118262772) is 11-[3-(difluoromethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-3-one.

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

The canonical SMILES for ZNTXYYMSBAUURX-UHFFFAOYSA-N is Cn1c2cc[nH]c(=O)c2c2ccc(Nc3cccc(OC(F)F)c3)nc21.

What is the InChIKey of ZNTXYYMSBAUURX-UHFFFAOYSA-N?

The InChIKey is ZNTXYYMSBAUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-24-13-7-8-21-17(25)15(13)12-5-6-14(23-16(12)24)22-10-3-2-4-11(9-10)26-18(19)20/h2-9,18H,1H3,(H,21,25)(H,22,23).

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

ZNTXYYMSBAUURX-UHFFFAOYSA-N has a molecular weight of 356.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ZNTXYYMSBAUURX-UHFFFAOYSA-N is sourced from PubChem (CID 118262772), 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 118262772 — identifiers, structure, computed properties (public domain)

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