VAZHAKDKTBPOEO-UHFFFAOYSA-N

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

C₁₉H₁₃ClF₃N₃ — CID 135152423

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

IUPAC3-(5-chloro-4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-fluorocinnoline

SMILESCC1(C)N=C(c2cc3cccc(F)c3nn2)c2cccc(Cl)c2C1(F)F

InChIInChI=1S/C19H13ClF3N3/c1-18(2)19(22,23)15-11(6-4-7-12(15)20)17(24-18)14-9-10-5-3-8-13(21)16(10)26-25-14/h3-9H,1-2H3

InChIKeyVAZHAKDKTBPOEO-UHFFFAOYSA-N

MW375.78 g/mol

LogP5.14

Rot. Bonds1

About VAZHAKDKTBPOEO-UHFFFAOYSA-N

VAZHAKDKTBPOEO-UHFFFAOYSA-N (PubChem CID 135152423) has the molecular formula C₁₉H₁₃ClF₃N₃ and a molecular weight of 375.78 g/mol. Its IUPAC name is 3-(5-chloro-4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-fluorocinnoline.

Molecular Properties

Compound Name	VAZHAKDKTBPOEO-UHFFFAOYSA-N
PubChem CID	135152423
Molecular Formula	C₁₉H₁₃ClF₃N₃
Molecular Weight	375.78 g/mol
Exact Mass	375.08
IUPAC Name	3-(5-chloro-4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-fluorocinnoline
SMILES	CC1(C)N=C(c2cc3cccc(F)c3nn2)c2cccc(Cl)c2C1(F)F
InChI	InChI=1S/C19H13ClF3N3/c1-18(2)19(22,23)15-11(6-4-7-12(15)20)17(24-18)14-9-10-5-3-8-13(21)16(10)26-25-14/h3-9H,1-2H3
InChIKey	VAZHAKDKTBPOEO-UHFFFAOYSA-N
XLogP	5.14
TPSA	38.14 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.78
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of VAZHAKDKTBPOEO-UHFFFAOYSA-N (CID 135152423) is 3-(5-chloro-4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-fluorocinnoline.

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

The canonical SMILES for VAZHAKDKTBPOEO-UHFFFAOYSA-N is CC1(C)N=C(c2cc3cccc(F)c3nn2)c2cccc(Cl)c2C1(F)F.

What is the InChIKey of VAZHAKDKTBPOEO-UHFFFAOYSA-N?

The InChIKey is VAZHAKDKTBPOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3/c1-18(2)19(22,23)15-11(6-4-7-12(15)20)17(24-18)14-9-10-5-3-8-13(21)16(10)26-25-14/h3-9H,1-2H3.

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

VAZHAKDKTBPOEO-UHFFFAOYSA-N has a molecular weight of 375.78 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for VAZHAKDKTBPOEO-UHFFFAOYSA-N is sourced from PubChem (CID 135152423), 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 135152423 — identifiers, structure, computed properties (public domain)

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