6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

C15H11N3O2 — CID 142045104

IUPAC6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
SMILESCONc1cccc2c1C(=O)c1cccc3[nH]nc-2c13
InChIInChI=1S/C15H11N3O2/c1-20-18-11-7-2-4-8-13(11)15(19)9-5-3-6-10-12(9)14(8)17-16-10/h2-7,18H,1H3,(H,16,17)
InChIKeyMBVDQTWLSRSTJS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.75
Rot. Bonds2

About 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one (PubChem CID 142045104) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
PubChem CID142045104
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
SMILESCONc1cccc2c1C(=O)c1cccc3[nH]nc-2c13
InChIInChI=1S/C15H11N3O2/c1-20-18-11-7-2-4-8-13(11)15(19)9-5-3-6-10-12(9)14(8)17-16-10/h2-7,18H,1H3,(H,16,17)
InChIKeyMBVDQTWLSRSTJS-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one with MolForge

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Related Compounds

10-amino-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
CID 5344961
10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane
CID 142921768
N-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-8-yl)acetamide
CID 11096756
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazol-4-amine
CID 39220118
3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine
CID 39219698
5-(methoxyamino)-3H-quinazolin-4-one
CID 167016018
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
CID 39220575
6-(phenoxymethylamino)-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
CID 21014604
methyl 4-formamido-1H-indazole-3-carboxylate
CID 168652080
3-(2-hydroxyphenyl)-1H-indazole-4-carbaldehyde
CID 136917935
methyl 5-fluoro-4-(4-fluoro-1H-indazol-3-yl)-2-methoxybenzoate
CID 90040824

Frequently Asked Questions

What is the IUPAC name of 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The IUPAC name of 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one (CID 142045104) is 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The canonical SMILES for 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one is CONc1cccc2c1C(=O)c1cccc3[nH]nc-2c13.
What is the InChIKey of 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The InChIKey is MBVDQTWLSRSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-20-18-11-7-2-4-8-13(11)15(19)9-5-3-6-10-12(9)14(8)17-16-10/h2-7,18H,1H3,(H,16,17).
What are the key properties of 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one has a molecular weight of 265.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 142045104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).