methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate

C16H15N3O2 — CID 14669046

IUPACmethyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n3c2c(n1)CN(C)C3
InChIInChI=1S/C16H15N3O2/c1-18-8-13-15-11(7-12(17-13)16(20)21-2)10-5-3-4-6-14(10)19(15)9-18/h3-7H,8-9H2,1-2H3
InChIKeyFPIOYVGZIPUPHF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.38
Rot. Bonds1

About methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate

methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate (PubChem CID 14669046) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate
PubChem CID14669046
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Namemethyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n3c2c(n1)CN(C)C3
InChIInChI=1S/C16H15N3O2/c1-18-8-13-15-11(7-12(17-13)16(20)21-2)10-5-3-4-6-14(10)19(15)9-18/h3-7H,8-9H2,1-2H3
InChIKeyFPIOYVGZIPUPHF-UHFFFAOYSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate 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

methyl 3-(3-hydroxypropyl)-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate
CID 14669051
methyl 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
methyl 3-cyano-4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate
CID 44614080
methyl 19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxylate
CID 8016689
methyl 17-methoxy-13-(3-methoxy-3-oxoprop-1-en-2-yl)-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8,10,12(21),14(19),15,17-nonaene-10-carboxylate
CID 57408330
methyl 2-(1-cyanoethenyl)-6,8-dioxa-13,23-diazahexacyclo[11.10.1.03,11.05,9.014,19.020,24]tetracosa-1(24),3,5(9),10,14,16,18,20,22-nonaene-22-carboxylate
CID 57408215
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
methyl 7-fluoro-10,10-dimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),4(9),5,7,14,16,18,20,22-nonaene-22-carboxylate
CID 50916033
methyl 1-[(E)-hydroxyiminomethyl]-9-prop-2-ynylpyrido[3,4-b]indole-3-carboxylate
CID 135863006
methyl 1-[5-(acetyloxymethylidene)-2H-furan-2-yl]-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141129138
methyl 6-[[(Z)-2-cyano-3-phenylprop-2-enyl]carbamoyl]-8-oxo-7-prop-2-enyl-4,7,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11,13,15-hexaene-3-carboxylate
CID 102417625

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate?
The IUPAC name of methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate (CID 14669046) is methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate.
What is the SMILES notation for methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate?
The canonical SMILES for methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate is COC(=O)c1cc2c3ccccc3n3c2c(n1)CN(C)C3.
What is the InChIKey of methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate?
The InChIKey is FPIOYVGZIPUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-18-8-13-15-11(7-12(17-13)16(20)21-2)10-5-3-4-6-14(10)19(15)9-18/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate?
methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate is sourced from PubChem (CID 14669046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).