17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione

C19H12N2O3 — CID 11067046

IUPAC17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
SMILESCOc1ccc2c(c1)[nH]c1c3ccccc3c3c(c21)C(=O)NC3=O
InChIInChI=1S/C19H12N2O3/c1-24-9-6-7-12-13(8-9)20-17-11-5-3-2-4-10(11)15-16(14(12)17)19(23)21-18(15)22/h2-8,20H,1H3,(H,21,22,23)
InChIKeyJEGDVGAVJOERBJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.37
Rot. Bonds1

About 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione

17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione (PubChem CID 11067046) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione.

Molecular Properties

Compound Name17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
PubChem CID11067046
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
SMILESCOc1ccc2c(c1)[nH]c1c3ccccc3c3c(c21)C(=O)NC3=O
InChIInChI=1S/C19H12N2O3/c1-24-9-6-7-12-13(8-9)20-17-11-5-3-2-4-10(11)15-16(14(12)17)19(23)21-18(15)22/h2-8,20H,1H3,(H,21,22,23)
InChIKeyJEGDVGAVJOERBJ-UHFFFAOYSA-N
XLogP3.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione with MolForge

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Related Compounds

17-(trifluoromethyl)-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11759995
4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione
CID 24763829
5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11843685
6-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 11782794
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
CID 5330710
6-methoxy-12,20-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18-nonaen-21-one
CID 15360571
9-methoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11843684
3-thia-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 11022687
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
6-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione;cyclopentane-1,2-diol
CID 142254288

Frequently Asked Questions

What is the IUPAC name of 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione?
The IUPAC name of 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione (CID 11067046) is 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione.
What is the SMILES notation for 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione?
The canonical SMILES for 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione is COc1ccc2c(c1)[nH]c1c3ccccc3c3c(c21)C(=O)NC3=O.
What is the InChIKey of 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione?
The InChIKey is JEGDVGAVJOERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c1-24-9-6-7-12-13(8-9)20-17-11-5-3-2-4-10(11)15-16(14(12)17)19(23)21-18(15)22/h2-8,20H,1H3,(H,21,22,23).
What are the key properties of 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione?
17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione has a molecular weight of 316.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione is sourced from PubChem (CID 11067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).