6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one

C16H11N3O2 — CID 3307924

IUPAC6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one
SMILESCOc1cccc2c1ncc1c(=O)n3ccccc3nc12
InChIInChI=1S/C16H11N3O2/c1-21-12-6-4-5-10-14-11(9-17-15(10)12)16(20)19-8-3-2-7-13(19)18-14/h2-9H,1H3
InChIKeyKSSCRSSLCQNPRF-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.40
Rot. Bonds1

About 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one

6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one (PubChem CID 3307924) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one.

Molecular Properties

Compound Name6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one
PubChem CID3307924
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one
SMILESCOc1cccc2c1ncc1c(=O)n3ccccc3nc12
InChIInChI=1S/C16H11N3O2/c1-21-12-6-4-5-10-14-11(9-17-15(10)12)16(20)19-8-3-2-7-13(19)18-14/h2-9H,1H3
InChIKeyKSSCRSSLCQNPRF-UHFFFAOYSA-N
XLogP2.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one with MolForge

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Related Compounds

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2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
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3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione
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CID 20953337
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 2332720
4-(3,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
CID 75490162
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one
CID 74953970
3-(1-aminoethyl)-8-methoxyquinazolin-4-one
CID 117264736
8-methoxy-2,3-dihydro-[1,4]dioxepino[6,5-c]quinolin-5-one
CID 50877398
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
CID 75490180

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one?
The IUPAC name of 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one (CID 3307924) is 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one.
What is the SMILES notation for 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one?
The canonical SMILES for 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one is COc1cccc2c1ncc1c(=O)n3ccccc3nc12.
What is the InChIKey of 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one?
The InChIKey is KSSCRSSLCQNPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-21-12-6-4-5-10-14-11(9-17-15(10)12)16(20)19-8-3-2-7-13(19)18-14/h2-9H,1H3.
What are the key properties of 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one?
6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one has a molecular weight of 277.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one is sourced from PubChem (CID 3307924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).