1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone

C20H26N4O — CID 46870859

IUPAC1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone
SMILESCC(=O)N1CCc2cc3nc4n(c3cc2C1)CCN(C1CCC1)CC4
InChIInChI=1S/C20H26N4O/c1-14(25)23-7-5-15-11-18-19(12-16(15)13-23)24-10-9-22(17-3-2-4-17)8-6-20(24)21-18/h11-12,17H,2-10,13H2,1H3
InChIKeyABVQWXFMIFHYPZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.35
Rot. Bonds1

About 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone

1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone (PubChem CID 46870859) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone.

Molecular Properties

Compound Name1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone
PubChem CID46870859
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone
SMILESCC(=O)N1CCc2cc3nc4n(c3cc2C1)CCN(C1CCC1)CC4
InChIInChI=1S/C20H26N4O/c1-14(25)23-7-5-15-11-18-19(12-16(15)13-23)24-10-9-22(17-3-2-4-17)8-6-20(24)21-18/h11-12,17H,2-10,13H2,1H3
InChIKeyABVQWXFMIFHYPZ-UHFFFAOYSA-N
XLogP2.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone with MolForge

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Related Compounds

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CID 58063987
3-cyclobutyl-8-phenyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
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3-cyclobutyl-8-(4-methylimidazol-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 46871613
3-cyclobutyl-9-(4-propan-2-ylpiperazin-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 66680494
3-cyclobutyl-10-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[1,2-a]benzimidazole
CID 51002040
3-cyclobutyl-8-(3,7-dimethyl-5,6-dihydro-1,2,4-triazepin-4-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 90704188
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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone?
The IUPAC name of 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone (CID 46870859) is 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone.
What is the SMILES notation for 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone?
The canonical SMILES for 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone is CC(=O)N1CCc2cc3nc4n(c3cc2C1)CCN(C1CCC1)CC4.
What is the InChIKey of 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone?
The InChIKey is ABVQWXFMIFHYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(25)23-7-5-15-11-18-19(12-16(15)13-23)24-10-9-22(17-3-2-4-17)8-6-20(24)21-18/h11-12,17H,2-10,13H2,1H3.
What are the key properties of 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone?
1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone has a molecular weight of 338.46 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone is sourced from PubChem (CID 46870859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).