15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one

C18H18N4O — CID 911067

IUPAC15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one
SMILESCn1ncn2c(=O)c3c(nc12)-c1ccccc1CC31CCCC1
InChIInChI=1S/C18H18N4O/c1-21-17-20-15-13-7-3-2-6-12(13)10-18(8-4-5-9-18)14(15)16(23)22(17)11-19-21/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyJPLCZFIBKMJYKL-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.46
Rot. Bonds

About 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one

15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one (PubChem CID 911067) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one.

Molecular Properties

Compound Name15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one
PubChem CID911067
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one
SMILESCn1ncn2c(=O)c3c(nc12)-c1ccccc1CC31CCCC1
InChIInChI=1S/C18H18N4O/c1-21-17-20-15-13-7-3-2-6-12(13)10-18(8-4-5-9-18)14(15)16(23)22(17)11-19-21/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyJPLCZFIBKMJYKL-UHFFFAOYSA-N
XLogP2.46
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one?
The IUPAC name of 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one (CID 911067) is 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one.
What is the SMILES notation for 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one?
The canonical SMILES for 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one is Cn1ncn2c(=O)c3c(nc12)-c1ccccc1CC31CCCC1.
What is the InChIKey of 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one?
The InChIKey is JPLCZFIBKMJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-17-20-15-13-7-3-2-6-12(13)10-18(8-4-5-9-18)14(15)16(23)22(17)11-19-21/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one?
15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one has a molecular weight of 306.37 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-11-one is sourced from PubChem (CID 911067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).