7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene

C17H22N2O — CID 164872755

IUPAC7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C)N1CCCC3C1
InChIInChI=1S/C17H22N2O/c1-11-8-15-14-9-13(20-2)5-6-16(14)18-17(15)12-4-3-7-19(11)10-12/h5-6,9,11-12,18H,3-4,7-8,10H2,1-2H3
InChIKeyWXUHCCUDSFSTSC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.30
Rot. Bonds1

About 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene

7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene (PubChem CID 164872755) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
PubChem CID164872755
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C)N1CCCC3C1
InChIInChI=1S/C17H22N2O/c1-11-8-15-14-9-13(20-2)5-6-16(14)18-17(15)12-4-3-7-19(11)10-12/h5-6,9,11-12,18H,3-4,7-8,10H2,1-2H3
InChIKeyWXUHCCUDSFSTSC-UHFFFAOYSA-N
XLogP3.30
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene 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

7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
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
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
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
(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
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84638099
(1R)-6,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16(21),17,19-heptaene
CID 137467201
(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
3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
CID 84645185
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene (CID 164872755) is 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene is COc1ccc2[nH]c3c(c2c1)CC(C)N1CCCC3C1.
What is the InChIKey of 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The InChIKey is WXUHCCUDSFSTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-8-15-14-9-13(20-2)5-6-16(14)18-17(15)12-4-3-7-19(11)10-12/h5-6,9,11-12,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene has a molecular weight of 270.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 164872755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).