7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one

C30H33N3O2 — CID 118731506

IUPAC7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCNCCc3cn(Cc4ccccc4)c4ccccc34)cc2N1
InChIInChI=1S/C30H33N3O2/c34-30-15-13-24-12-14-26(20-28(24)32-30)35-19-7-6-17-31-18-16-25-22-33(21-23-8-2-1-3-9-23)29-11-5-4-10-27(25)29/h1-5,8-12,14,20,22,31H,6-7,13,15-19,21H2,(H,32,34)
InChIKeyFDGNQWITRXOPIF-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.57
Rot. Bonds11

About 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118731506) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118731506
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCNCCc3cn(Cc4ccccc4)c4ccccc34)cc2N1
InChIInChI=1S/C30H33N3O2/c34-30-15-13-24-12-14-26(20-28(24)32-30)35-19-7-6-17-31-18-16-25-22-33(21-23-8-2-1-3-9-23)29-11-5-4-10-27(25)29/h1-5,8-12,14,20,22,31H,6-7,13,15-19,21H2,(H,32,34)
InChIKeyFDGNQWITRXOPIF-UHFFFAOYSA-N
XLogP5.57
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 118731506) is 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCCNCCc3cn(Cc4ccccc4)c4ccccc34)cc2N1.
What is the InChIKey of 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FDGNQWITRXOPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c34-30-15-13-24-12-14-26(20-28(24)32-30)35-19-7-6-17-31-18-16-25-22-33(21-23-8-2-1-3-9-23)29-11-5-4-10-27(25)29/h1-5,8-12,14,20,22,31H,6-7,13,15-19,21H2,(H,32,34).
What are the key properties of 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 467.61 g/mol, XLogP of 5.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118731506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).