8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C21H18N2O — CID 51360702

IUPAC8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc4[nH]ccc4c3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C21H18N2O/c1-23-9-7-14-15(12-2-3-17-13(10-12)6-8-22-17)11-16-18-4-5-19(24-18)20(16)21(14)23/h2-3,6-11,18-19,22H,4-5H2,1H3
InChIKeyXUAKQOIVZKHYJD-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.23
Rot. Bonds1

About 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360702) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360702
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc4[nH]ccc4c3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C21H18N2O/c1-23-9-7-14-15(12-2-3-17-13(10-12)6-8-22-17)11-16-18-4-5-19(24-18)20(16)21(14)23/h2-3,6-11,18-19,22H,4-5H2,1H3
InChIKeyXUAKQOIVZKHYJD-UHFFFAOYSA-N
XLogP5.23
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360702) is 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3ccc4[nH]ccc4c3)cc3c(c21)C1CCC3O1.
What is the InChIKey of 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is XUAKQOIVZKHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-23-9-7-14-15(12-2-3-17-13(10-12)6-8-22-17)11-16-18-4-5-19(24-18)20(16)21(14)23/h2-3,6-11,18-19,22H,4-5H2,1H3.
What are the key properties of 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 314.39 g/mol, XLogP of 5.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-5-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).