16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one

C14H15N3O — CID 72724645

IUPAC16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
SMILESCn1c2c(c3ccccc31)CCN1C(=O)NCC21
InChIInChI=1S/C14H15N3O/c1-16-11-5-3-2-4-9(11)10-6-7-17-12(13(10)16)8-15-14(17)18/h2-5,12H,6-8H2,1H3,(H,15,18)
InChIKeyFCRNNYLOBRVGIB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.80
Rot. Bonds

About 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one

16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one (PubChem CID 72724645) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one.

Molecular Properties

Compound Name16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
PubChem CID72724645
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
SMILESCn1c2c(c3ccccc31)CCN1C(=O)NCC21
InChIInChI=1S/C14H15N3O/c1-16-11-5-3-2-4-9(11)10-6-7-17-12(13(10)16)8-15-14(17)18/h2-5,12H,6-8H2,1H3,(H,15,18)
InChIKeyFCRNNYLOBRVGIB-UHFFFAOYSA-N
XLogP1.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-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

1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58793158
1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 20513183
16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene
CID 24864740
2,5,6,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3,7-dione
CID 154483696
(1R,12S,15R)-3-methyl-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-ol
CID 155294428
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 23242606
1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099
(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
CID 23327272
6-chloro-5-methyl-1,2,3,5-tetrahydroazepino[4,5-b]indol-4-one
CID 70098889
methyl (3Z)-3-ethylidene-12-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizine-2-carboxylate
CID 5383331
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813

Frequently Asked Questions

What is the IUPAC name of 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one?
The IUPAC name of 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one (CID 72724645) is 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one.
What is the SMILES notation for 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one?
The canonical SMILES for 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one is Cn1c2c(c3ccccc31)CCN1C(=O)NCC21.
What is the InChIKey of 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one?
The InChIKey is FCRNNYLOBRVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-16-11-5-3-2-4-9(11)10-6-7-17-12(13(10)16)8-15-14(17)18/h2-5,12H,6-8H2,1H3,(H,15,18).
What are the key properties of 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one?
16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one has a molecular weight of 241.29 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one is sourced from PubChem (CID 72724645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).