HC-070

Name: HC-070 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₀Cl₂N₄O₄ — CID 85473309

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

IUPAC8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione

SMILESCn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(Cl)c1)n2Cc1ccc(Cl)cc1

InChIInChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3

InChIKeyVYJPVPHNGWEIBT-UHFFFAOYSA-N

MW475.33 g/mol

LogP3.43

Rot. Bonds7

About HC-070

HC-070 (PubChem CID 85473309) has the molecular formula C₂₂H₂₀Cl₂N₄O₄ and a molecular weight of 475.33 g/mol. Its IUPAC name is 8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name	HC-070
PubChem CID	85473309
Molecular Formula	C₂₂H₂₀Cl₂N₄O₄
Molecular Weight	475.33 g/mol
Exact Mass	474.09
IUPAC Name	8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione
SMILES	Cn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(Cl)c1)n2Cc1ccc(Cl)cc1
InChI	InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3
InChIKey	VYJPVPHNGWEIBT-UHFFFAOYSA-N
XLogP	3.43
TPSA	91.28 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.33
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of HC-070?

The IUPAC name of HC-070 (CID 85473309) is 8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione.

What is the SMILES notation for HC-070?

The canonical SMILES for HC-070 is Cn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(Cl)c1)n2Cc1ccc(Cl)cc1.

What is the InChIKey of HC-070?

The InChIKey is VYJPVPHNGWEIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3.

What are the key properties of HC-070?

HC-070 has a molecular weight of 475.33 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for HC-070 is sourced from PubChem (CID 85473309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 85473309 — identifiers, structure, computed properties (public domain)

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