(8-quinolin-8-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

C28H21N3O3 — CID 155523420

IUPAC(8-quinolin-8-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
SMILESCN(C)C(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21
InChIInChI=1S/C28H21N3O3/c1-30(2)28(32)34-27-22-13-7-15-31(22)23-16-19-8-3-4-9-20(19)17-24(23)33-26(27)21-12-5-10-18-11-6-14-29-25(18)21/h3-17H,1-2H3
InChIKeyIJZCCWNVKULXGP-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.10
Rot. Bonds2

About (8-quinolin-8-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-quinolin-8-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 155523420) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is (8-quinolin-8-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-quinolin-8-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 CID155523420
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC Name(8-quinolin-8-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
SMILESCN(C)C(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21
InChIInChI=1S/C28H21N3O3/c1-30(2)28(32)34-27-22-13-7-15-31(22)23-16-19-8-3-4-9-20(19)17-24(23)33-26(27)21-12-5-10-18-11-6-14-29-25(18)21/h3-17H,1-2H3
InChIKeyIJZCCWNVKULXGP-UHFFFAOYSA-N
XLogP6.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-quinolin-8-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-quinolin-8-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-quinolin-8-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 155523420) is (8-quinolin-8-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-quinolin-8-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-quinolin-8-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 CN(C)C(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21.
What is the InChIKey of (8-quinolin-8-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 IJZCCWNVKULXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c1-30(2)28(32)34-27-22-13-7-15-31(22)23-16-19-8-3-4-9-20(19)17-24(23)33-26(27)21-12-5-10-18-11-6-14-29-25(18)21/h3-17H,1-2H3.
What are the key properties of (8-quinolin-8-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-quinolin-8-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 447.49 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-quinolin-8-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 155523420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).