4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene

C19H14N2 — CID 139599996

IUPAC4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESc1cc(C2CC2)nc2c(c1)ccc1nc3ccccc3c12
InChIInChI=1S/C19H14N2/c1-2-6-16-14(5-1)18-17(20-16)11-10-13-4-3-7-15(12-8-9-12)21-19(13)18/h1-7,10-12H,8-9H2
InChIKeyMBJJOXUNBUCZDE-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.81
Rot. Bonds1

About 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene

4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 139599996) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID139599996
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESc1cc(C2CC2)nc2c(c1)ccc1nc3ccccc3c12
InChIInChI=1S/C19H14N2/c1-2-6-16-14(5-1)18-17(20-16)11-10-13-4-3-7-15(12-8-9-12)21-19(13)18/h1-7,10-12H,8-9H2
InChIKeyMBJJOXUNBUCZDE-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene (CID 139599996) is 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene is c1cc(C2CC2)nc2c(c1)ccc1nc3ccccc3c12.
What is the InChIKey of 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is MBJJOXUNBUCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-2-6-16-14(5-1)18-17(20-16)11-10-13-4-3-7-15(12-8-9-12)21-19(13)18/h1-7,10-12H,8-9H2.
What are the key properties of 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene?
4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene has a molecular weight of 270.33 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,12-diazatetracyclo[9.7.0.02,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 139599996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).