2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone

C24H23N3O2 — CID 22720356

IUPAC2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone
SMILESCc1ccc2cccc(OCC(=O)c3c4n(c5ccccc35)CCNCC4)c2n1
InChIInChI=1S/C24H23N3O2/c1-16-9-10-17-5-4-8-22(24(17)26-16)29-15-21(28)23-18-6-2-3-7-19(18)27-14-13-25-12-11-20(23)27/h2-10,25H,11-15H2,1H3
InChIKeyGDRKBDRKWAHHLX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone

2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone (PubChem CID 22720356) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone
PubChem CID22720356
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone
SMILESCc1ccc2cccc(OCC(=O)c3c4n(c5ccccc35)CCNCC4)c2n1
InChIInChI=1S/C24H23N3O2/c1-16-9-10-17-5-4-8-22(24(17)26-16)29-15-21(28)23-18-6-2-3-7-19(18)27-14-13-25-12-11-20(23)27/h2-10,25H,11-15H2,1H3
InChIKeyGDRKBDRKWAHHLX-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone?
The IUPAC name of 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone (CID 22720356) is 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone?
The canonical SMILES for 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone is Cc1ccc2cccc(OCC(=O)c3c4n(c5ccccc35)CCNCC4)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone?
The InChIKey is GDRKBDRKWAHHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-9-10-17-5-4-8-22(24(17)26-16)29-15-21(28)23-18-6-2-3-7-19(18)27-14-13-25-12-11-20(23)27/h2-10,25H,11-15H2,1H3.
What are the key properties of 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone?
2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone has a molecular weight of 385.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)oxy-1-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethanone is sourced from PubChem (CID 22720356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).