2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

C25H23N5O2 — CID 3010652

IUPAC2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
SMILESCCN1c2ncc(CCOc3ccnc4ccccc34)cc2C(=O)Nc2c(C)ccnc21
InChIInChI=1S/C25H23N5O2/c1-3-30-23-19(25(31)29-22-16(2)8-11-27-24(22)30)14-17(15-28-23)10-13-32-21-9-12-26-20-7-5-4-6-18(20)21/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,29,31)
InChIKeyOFXZRCZZSWRKQS-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.68
Rot. Bonds5

About 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one (PubChem CID 3010652) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
PubChem CID3010652
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
SMILESCCN1c2ncc(CCOc3ccnc4ccccc34)cc2C(=O)Nc2c(C)ccnc21
InChIInChI=1S/C25H23N5O2/c1-3-30-23-19(25(31)29-22-16(2)8-11-27-24(22)30)14-17(15-28-23)10-13-32-21-9-12-26-20-7-5-4-6-18(20)21/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,29,31)
InChIKeyOFXZRCZZSWRKQS-UHFFFAOYSA-N
XLogP4.68
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
The IUPAC name of 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one (CID 3010652) is 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one.
What is the SMILES notation for 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
The canonical SMILES for 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one is CCN1c2ncc(CCOc3ccnc4ccccc34)cc2C(=O)Nc2c(C)ccnc21.
What is the InChIKey of 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
The InChIKey is OFXZRCZZSWRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-3-30-23-19(25(31)29-22-16(2)8-11-27-24(22)30)14-17(15-28-23)10-13-32-21-9-12-26-20-7-5-4-6-18(20)21/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,29,31).
What are the key properties of 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one?
2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one has a molecular weight of 425.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one is sourced from PubChem (CID 3010652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).