1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone

C21H19N3O2 — CID 75440782

IUPAC1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C21H19N3O2/c25-19(14-16-5-1-4-15-6-3-9-22-20(15)16)24-11-10-23-12-13-26-18-8-2-7-17(24)21(18)23/h1-9H,10-14H2
InChIKeyYNQIRLDYYMDFRU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone

1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone (PubChem CID 75440782) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone
PubChem CID75440782
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C21H19N3O2/c25-19(14-16-5-1-4-15-6-3-9-22-20(15)16)24-11-10-23-12-13-26-18-8-2-7-17(24)21(18)23/h1-9H,10-14H2
InChIKeyYNQIRLDYYMDFRU-UHFFFAOYSA-N
XLogP3.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
CID 71941938
2-methoxy-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 75440676
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 128559841
3-(4-methylphenyl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)propan-1-one
CID 110670755
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
N-tert-butyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
CID 110670838
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626853
1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626852
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46696700
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone?
The IUPAC name of 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone (CID 75440782) is 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone?
The canonical SMILES for 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)N1CCN2CCOc3cccc1c32.
What is the InChIKey of 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone?
The InChIKey is YNQIRLDYYMDFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19(14-16-5-1-4-15-6-3-9-22-20(15)16)24-11-10-23-12-13-26-18-8-2-7-17(24)21(18)23/h1-9H,10-14H2.
What are the key properties of 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone?
1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone has a molecular weight of 345.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone is sourced from PubChem (CID 75440782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).