4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol

C28H32N4O3 — CID 59555725

IUPAC4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCCOc1cc(Nc2ccnc3c2CCCC3O)ccc1NCCc1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C28H32N4O3/c1-3-35-27-15-19(32-23-12-14-30-28-22(23)5-4-6-26(28)33)7-10-24(27)29-13-11-18-17-31-25-16-20(34-2)8-9-21(18)25/h7-10,12,14-17,26,29,31,33H,3-6,11,13H2,1-2H3,(H,30,32)
InChIKeyUQZCXLZZFZIPMT-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.74
Rot. Bonds9

About 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol

4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 59555725) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID59555725
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCCOc1cc(Nc2ccnc3c2CCCC3O)ccc1NCCc1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C28H32N4O3/c1-3-35-27-15-19(32-23-12-14-30-28-22(23)5-4-6-26(28)33)7-10-24(27)29-13-11-18-17-31-25-16-20(34-2)8-9-21(18)25/h7-10,12,14-17,26,29,31,33H,3-6,11,13H2,1-2H3,(H,30,32)
InChIKeyUQZCXLZZFZIPMT-UHFFFAOYSA-N
XLogP5.74
TPSA91.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol with MolForge

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Related Compounds

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CID 23646988
CID 44335519
CID 44335519
CID 46889811
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CID 9844300
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CID 9865576
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CID 9866320
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CID 9909555
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CID 9928161

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol (CID 59555725) is 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol is CCOc1cc(Nc2ccnc3c2CCCC3O)ccc1NCCc1c[nH]c2cc(OC)ccc12.
What is the InChIKey of 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is UQZCXLZZFZIPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-3-35-27-15-19(32-23-12-14-30-28-22(23)5-4-6-26(28)33)7-10-24(27)29-13-11-18-17-31-25-16-20(34-2)8-9-21(18)25/h7-10,12,14-17,26,29,31,33H,3-6,11,13H2,1-2H3,(H,30,32).
What are the key properties of 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol?
4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 472.59 g/mol, XLogP of 5.74, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 59555725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).