4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol

Name: 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₉N₇O — CID 117088714

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

IUPAC4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol

SMILESOc1ccc(CCNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1

InChIInChI=1S/C22H19N7O/c30-17-6-3-14(4-7-17)9-11-24-20-19-21(26-13-25-20)29-22(28-19)27-16-5-8-18-15(12-16)2-1-10-23-18/h1-8,10,12-13,30H,9,11H2,(H3,24,25,26,27,28,29)

InChIKeyRDEQFUQLRFMKMH-UHFFFAOYSA-N

MW397.44 g/mol

LogP4.00

Rot. Bonds6

About 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol

4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol (PubChem CID 117088714) has the molecular formula C₂₂H₁₉N₇O and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name	4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
PubChem CID	117088714
Molecular Formula	C₂₂H₁₉N₇O
Molecular Weight	397.44 g/mol
Exact Mass	397.17
IUPAC Name	4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
SMILES	Oc1ccc(CCNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1
InChI	InChI=1S/C22H19N7O/c30-17-6-3-14(4-7-17)9-11-24-20-19-21(26-13-25-20)29-22(28-19)27-16-5-8-18-15(12-16)2-1-10-23-18/h1-8,10,12-13,30H,9,11H2,(H3,24,25,26,27,28,29)
InChIKey	RDEQFUQLRFMKMH-UHFFFAOYSA-N
XLogP	4.00
TPSA	111.64 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol?

The IUPAC name of 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol (CID 117088714) is 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol.

What is the SMILES notation for 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol?

The canonical SMILES for 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol is Oc1ccc(CCNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1.

What is the InChIKey of 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol?

The InChIKey is RDEQFUQLRFMKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c30-17-6-3-14(4-7-17)9-11-24-20-19-21(26-13-25-20)29-22(28-19)27-16-5-8-18-15(12-16)2-1-10-23-18/h1-8,10,12-13,30H,9,11H2,(H3,24,25,26,27,28,29).

What are the key properties of 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol?

4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol has a molecular weight of 397.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 117088714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117088714 — identifiers, structure, computed properties (public domain)

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