20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione

C22H24N2O3 — CID 123157395

IUPAC20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione
SMILESO=C1NCCCC(=O)N2CCCC2COc2cccc(c2)-c2ccccc21
InChIInChI=1S/C22H24N2O3/c25-21-11-4-12-23-22(26)20-10-2-1-9-19(20)16-6-3-8-18(14-16)27-15-17-7-5-13-24(17)21/h1-3,6,8-10,14,17H,4-5,7,11-13,15H2,(H,23,26)
InChIKeyCMLKPPOWVBDIIH-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.25
Rot. Bonds

About 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione

20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione (PubChem CID 123157395) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione.

Molecular Properties

Compound Name20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione
PubChem CID123157395
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione
SMILESO=C1NCCCC(=O)N2CCCC2COc2cccc(c2)-c2ccccc21
InChIInChI=1S/C22H24N2O3/c25-21-11-4-12-23-22(26)20-10-2-1-9-19(20)16-6-3-8-18(14-16)27-15-17-7-5-13-24(17)21/h1-3,6,8-10,14,17H,4-5,7,11-13,15H2,(H,23,26)
InChIKeyCMLKPPOWVBDIIH-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione with MolForge

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Related Compounds

3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione
CID 140753552
(9S,19S)-19-benzyl-20-methyl-7-oxa-13,17,20,24-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,22,24-hexaene-14,18,21-trione
CID 140666853
10-ethenyl-14-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione
CID 123757288
(6aR)-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
CID 69061312
(9S,16R)-16,17,20-trimethyl-7-oxa-13,17,20,24-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,22,24-hexaene-14,18,21-trione
CID 140666829
N-[(12R,16R,18R)-8,13-dioxo-12-[(2-pyrrolidin-1-ylacetyl)amino]-20-oxa-9-azatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaen-16-yl]-2-naphthalen-1-ylacetamide
CID 176723323
amino (12Z)-6,15-dioxo-10,22-dioxa-4-thia-7,16-diazatetracyclo[21.3.1.12,5.016,20]octacosa-1(27),2,5(28),12,23,25-hexaene-8-carboxylate
CID 140666803
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
(9S,19R,22S)-16,19,20,22,23-pentamethyl-7-oxa-13,16,20,23,27-pentazatetracyclo[23.3.1.12,6.09,13]triaconta-1(29),2(30),3,5,25,27-hexaene-14,17,21,24-tetrone
CID 71744626
3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione
CID 101014780

Frequently Asked Questions

What is the IUPAC name of 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione?
The IUPAC name of 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione (CID 123157395) is 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione.
What is the SMILES notation for 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione?
The canonical SMILES for 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione is O=C1NCCCC(=O)N2CCCC2COc2cccc(c2)-c2ccccc21.
What is the InChIKey of 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione?
The InChIKey is CMLKPPOWVBDIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21-11-4-12-23-22(26)20-10-2-1-9-19(20)16-6-3-8-18(14-16)27-15-17-7-5-13-24(17)21/h1-3,6,8-10,14,17H,4-5,7,11-13,15H2,(H,23,26).
What are the key properties of 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione?
20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione has a molecular weight of 364.44 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxa-9,14-diazatetracyclo[19.3.1.02,7.014,18]pentacosa-1(25),2,4,6,21,23-hexaene-8,13-dione is sourced from PubChem (CID 123157395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).