10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one

C20H12N4O — CID 46224970

IUPAC10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one
SMILESO=C1c2ccccc2C2c3c[nH]c4ncnc(c34)-c3ccccc3N12
InChIInChI=1S/C20H12N4O/c25-20-12-6-2-1-5-11(12)18-14-9-21-19-16(14)17(22-10-23-19)13-7-3-4-8-15(13)24(18)20/h1-10,18H,(H,21,22,23)
InChIKeyVZPSNTAJTYQORF-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.69
Rot. Bonds

About 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one

10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one (PubChem CID 46224970) has the molecular formula C20H12N4O and a molecular weight of 324.34 g/mol. Its IUPAC name is 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one.

Molecular Properties

Compound Name10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one
PubChem CID46224970
Molecular FormulaC20H12N4O
Molecular Weight324.34 g/mol
Exact Mass324.10
IUPAC Name10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one
SMILESO=C1c2ccccc2C2c3c[nH]c4ncnc(c34)-c3ccccc3N12
InChIInChI=1S/C20H12N4O/c25-20-12-6-2-1-5-11(12)18-14-9-21-19-16(14)17(22-10-23-19)13-7-3-4-8-15(13)24(18)20/h1-10,18H,(H,21,22,23)
InChIKeyVZPSNTAJTYQORF-UHFFFAOYSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one?
The IUPAC name of 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one (CID 46224970) is 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one.
What is the SMILES notation for 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one?
The canonical SMILES for 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one is O=C1c2ccccc2C2c3c[nH]c4ncnc(c34)-c3ccccc3N12.
What is the InChIKey of 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one?
The InChIKey is VZPSNTAJTYQORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O/c25-20-12-6-2-1-5-11(12)18-14-9-21-19-16(14)17(22-10-23-19)13-7-3-4-8-15(13)24(18)20/h1-10,18H,(H,21,22,23).
What are the key properties of 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one?
10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one has a molecular weight of 324.34 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18,20,22-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.021,24]tetracosa-1(23),3,5,7,11,13,15,17(24),18,20-decaen-9-one is sourced from PubChem (CID 46224970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).