10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene

C18H14N2 — CID 162419046

IUPAC10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene
SMILESc1ccc2c(c1)NCc1ccncc1-c1ccccc1-2
InChIInChI=1S/C18H14N2/c1-2-6-15-14(5-1)16-7-3-4-8-18(16)20-11-13-9-10-19-12-17(13)15/h1-10,12,20H,11H2
InChIKeyATTCZICWESORJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.34
Rot. Bonds

About 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene

10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 162419046) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID162419046
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene
SMILESc1ccc2c(c1)NCc1ccncc1-c1ccccc1-2
InChIInChI=1S/C18H14N2/c1-2-6-15-14(5-1)16-7-3-4-8-18(16)20-11-13-9-10-19-12-17(13)15/h1-10,12,20H,11H2
InChIKeyATTCZICWESORJA-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene (CID 162419046) is 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene is c1ccc2c(c1)NCc1ccncc1-c1ccccc1-2.
What is the InChIKey of 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is ATTCZICWESORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-15-14(5-1)16-7-3-4-8-18(16)20-11-13-9-10-19-12-17(13)15/h1-10,12,20H,11H2.
What are the key properties of 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene?
10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 258.32 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 162419046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).