13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

C21H29N3O — CID 71070480

IUPAC13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESCOc1ccc2[nH]c3c(c2c1)CC1CN(C2CCCCC2)CN1C3C
InChIInChI=1S/C21H29N3O/c1-14-21-19(18-11-17(25-2)8-9-20(18)22-21)10-16-12-23(13-24(14)16)15-6-4-3-5-7-15/h8-9,11,14-16,22H,3-7,10,12-13H2,1-2H3
InChIKeyDCHAVGCXOSJVDR-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.07
Rot. Bonds2

About 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (PubChem CID 71070480) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
PubChem CID71070480
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESCOc1ccc2[nH]c3c(c2c1)CC1CN(C2CCCCC2)CN1C3C
InChIInChI=1S/C21H29N3O/c1-14-21-19(18-11-17(25-2)8-9-20(18)22-21)10-16-12-23(13-24(14)16)15-6-4-3-5-7-15/h8-9,11,14-16,22H,3-7,10,12-13H2,1-2H3
InChIKeyDCHAVGCXOSJVDR-UHFFFAOYSA-N
XLogP4.07
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872755
4-methoxy-10-methyl-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-12-one
CID 25056414
acetylene;7-methoxy-16-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 177142000
(1S,3S)-6-methoxy-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 125482234
(2S,3S,8S)-16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14(19),15,17-tetraene
CID 6352277
(1R,15S,16S)-7-methoxy-16,17-dimethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
CID 126489455
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
formic acid;methanol;6-methoxy-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 142993285
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84638099
4-bromo-13-cyclohexyl-10-(4-methoxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione
CID 59767130
4-bromo-13-cyclohexyl-10-(4-methoxyphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-14-one
CID 11455253

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The IUPAC name of 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (CID 71070480) is 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is COc1ccc2[nH]c3c(c2c1)CC1CN(C2CCCCC2)CN1C3C.
What is the InChIKey of 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The InChIKey is DCHAVGCXOSJVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-14-21-19(18-11-17(25-2)8-9-20(18)22-21)10-16-12-23(13-24(14)16)15-6-4-3-5-7-15/h8-9,11,14-16,22H,3-7,10,12-13H2,1-2H3.
What are the key properties of 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene has a molecular weight of 339.48 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-4-methoxy-10-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 71070480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).