4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene

C24H21N3O — CID 10044491

IUPAC4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc23)O1
InChIInChI=1S/C24H21N3O/c1-24(2)12-11-17-21-20(15-8-3-4-9-16(15)22(17)28-24)26-23(27-21)18-13-25-19-10-6-5-7-14(18)19/h3-10,13,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyQLADCCGURIKZSH-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.97
Rot. Bonds1

About 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene

4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene (PubChem CID 10044491) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
PubChem CID10044491
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc23)O1
InChIInChI=1S/C24H21N3O/c1-24(2)12-11-17-21-20(15-8-3-4-9-16(15)22(17)28-24)26-23(27-21)18-13-25-19-10-6-5-7-14(18)19/h3-10,13,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyQLADCCGURIKZSH-UHFFFAOYSA-N
XLogP5.97
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The IUPAC name of 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene (CID 10044491) is 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene.
What is the SMILES notation for 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The canonical SMILES for 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene is CC1(C)CCc2c(c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc23)O1.
What is the InChIKey of 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The InChIKey is QLADCCGURIKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-24(2)12-11-17-21-20(15-8-3-4-9-16(15)22(17)28-24)26-23(27-21)18-13-25-19-10-6-5-7-14(18)19/h3-10,13,25H,11-12H2,1-2H3,(H,26,27).
What are the key properties of 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene has a molecular weight of 367.45 g/mol, XLogP of 5.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-10,10-dimethyl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene is sourced from PubChem (CID 10044491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).