2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C24H23N5O — CID 15956313

IUPAC2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCCN1c2ncc(CCc3cccc4[nH]ccc34)cc2C(=O)N(C)c2cccnc21
InChIInChI=1S/C24H23N5O/c1-3-29-22-19(24(30)28(2)21-8-5-12-26-23(21)29)14-16(15-27-22)9-10-17-6-4-7-20-18(17)11-13-25-20/h4-8,11-15,25H,3,9-10H2,1-2H3
InChIKeyPUNGEWCLOBXINB-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.49
Rot. Bonds4

About 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (PubChem CID 15956313) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.

Molecular Properties

Compound Name2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
PubChem CID15956313
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCCN1c2ncc(CCc3cccc4[nH]ccc34)cc2C(=O)N(C)c2cccnc21
InChIInChI=1S/C24H23N5O/c1-3-29-22-19(24(30)28(2)21-8-5-12-26-23(21)29)14-16(15-27-22)9-10-17-6-4-7-20-18(17)11-13-25-20/h4-8,11-15,25H,3,9-10H2,1-2H3
InChIKeyPUNGEWCLOBXINB-UHFFFAOYSA-N
XLogP4.49
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The IUPAC name of 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CID 15956313) is 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
What is the SMILES notation for 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The canonical SMILES for 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is CCN1c2ncc(CCc3cccc4[nH]ccc34)cc2C(=O)N(C)c2cccnc21.
What is the InChIKey of 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The InChIKey is PUNGEWCLOBXINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-3-29-22-19(24(30)28(2)21-8-5-12-26-23(21)29)14-16(15-27-22)9-10-17-6-4-7-20-18(17)11-13-25-20/h4-8,11-15,25H,3,9-10H2,1-2H3.
What are the key properties of 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one has a molecular weight of 397.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-13-[2-(1H-indol-4-yl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is sourced from PubChem (CID 15956313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).