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[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate

C30H25N3O3 — CID 155511718

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate
SMILESCCc1cc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc4ccccc4cc3O2)c2ccccc2n1
InChIInChI=1S/C30H25N3O3/c1-4-21-18-23(22-12-7-8-13-24(22)31-21)28-29(36-30(34)32(2)3)25-14-9-15-33(25)26-16-19-10-5-6-11-20(19)17-27(26)35-28/h5-18H,4H2,1-3H3
InChIKeyRFIAMMHDAXEBOX-UHFFFAOYSA-N
MW475.55 g/mol
LogP6.66
Rot. Bonds3

About [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate

[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate (PubChem CID 155511718) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate
PubChem CID155511718
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Name[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate
SMILESCCc1cc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc4ccccc4cc3O2)c2ccccc2n1
InChIInChI=1S/C30H25N3O3/c1-4-21-18-23(22-12-7-8-13-24(22)31-21)28-29(36-30(34)32(2)3)25-14-9-15-33(25)26-16-19-10-5-6-11-20(19)17-27(26)35-28/h5-18H,4H2,1-3H3
InChIKeyRFIAMMHDAXEBOX-UHFFFAOYSA-N
XLogP6.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate (CID 155511718) is [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate is CCc1cc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc4ccccc4cc3O2)c2ccccc2n1.
What is the InChIKey of [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate?
The InChIKey is RFIAMMHDAXEBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-4-21-18-23(22-12-7-8-13-24(22)31-21)28-29(36-30(34)32(2)3)25-14-9-15-33(25)26-16-19-10-5-6-11-20(19)17-27(26)35-28/h5-18H,4H2,1-3H3.
What are the key properties of [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate?
[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate has a molecular weight of 475.55 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 155511718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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