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

C16H20N2O — CID 164872491

IUPAC7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1CCCC3C1
InChIInChI=1S/C16H20N2O/c1-19-12-4-5-15-14(9-12)13-6-8-18-7-2-3-11(10-18)16(13)17-15/h4-5,9,11,17H,2-3,6-8,10H2,1H3
InChIKeyYHVRLKBUXFUDGD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.91
Rot. Bonds1

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

7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene (PubChem CID 164872491) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
PubChem CID164872491
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1CCCC3C1
InChIInChI=1S/C16H20N2O/c1-19-12-4-5-15-14(9-12)13-6-8-18-7-2-3-11(10-18)16(13)17-15/h4-5,9,11,17H,2-3,6-8,10H2,1H3
InChIKeyYHVRLKBUXFUDGD-UHFFFAOYSA-N
XLogP2.91
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(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
(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 124581684
7,9-dioxa-3,16-diazapentacyclo[14.3.1.02,13.04,12.06,10]icosa-2(13),4,6(10),11-tetraene;molecular hydrogen
CID 164872654
6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 170406532
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
7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 54166241
(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
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione
CID 18794211

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene (CID 164872491) is 7-methoxy-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-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene is COc1ccc2[nH]c3c(c2c1)CCN1CCCC3C1.
What is the InChIKey of 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The InChIKey is YHVRLKBUXFUDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-12-4-5-15-14(9-12)13-6-8-18-7-2-3-11(10-18)16(13)17-15/h4-5,9,11,17H,2-3,6-8,10H2,1H3.
What are the key properties of 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene has a molecular weight of 256.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 164872491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).