6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one

C15H11N3O2 — CID 139229443

IUPAC6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one
SMILESCc1ccc2oc3nc4[nH]nc(C)c4cc3c(=O)c2c1
InChIInChI=1S/C15H11N3O2/c1-7-3-4-12-10(5-7)13(19)11-6-9-8(2)17-18-14(9)16-15(11)20-12/h3-6H,1-2H3,(H,16,17,18)
InChIKeyJHKZLCFIBGEWKG-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.83
Rot. Bonds

About 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one

6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one (PubChem CID 139229443) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one.

Molecular Properties

Compound Name6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one
PubChem CID139229443
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one
SMILESCc1ccc2oc3nc4[nH]nc(C)c4cc3c(=O)c2c1
InChIInChI=1S/C15H11N3O2/c1-7-3-4-12-10(5-7)13(19)11-6-9-8(2)17-18-14(9)16-15(11)20-12/h3-6H,1-2H3,(H,16,17,18)
InChIKeyJHKZLCFIBGEWKG-UHFFFAOYSA-N
XLogP2.83
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,24-dimethyl-5,28-dioxa-3,30-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6(11),7,9,14,18,20(29),22(27),23,25-dodecaene-12,21-dione
CID 177440034
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
CID 71384416
2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 142908472
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 725098
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066
7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 3780301
2-methyl-7-phenylxanthen-9-one
CID 123326805
7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
CID 12898481
butyl 2,8-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747323
2-(4-methoxy-2-pyridinyl)-7-methylxanthen-9-one
CID 140717662

Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one?
The IUPAC name of 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one (CID 139229443) is 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one.
What is the SMILES notation for 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one?
The canonical SMILES for 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one is Cc1ccc2oc3nc4[nH]nc(C)c4cc3c(=O)c2c1.
What is the InChIKey of 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one?
The InChIKey is JHKZLCFIBGEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-7-3-4-12-10(5-7)13(19)11-6-9-8(2)17-18-14(9)16-15(11)20-12/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one?
6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one has a molecular weight of 265.27 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one is sourced from PubChem (CID 139229443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).