7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

C20H16N2 — CID 143243946

IUPAC7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCc1ccc2c(c1)Cc1nc3c(nc1-2)Cc1cc(C)ccc1-3
InChIInChI=1S/C20H16N2/c1-11-3-5-15-13(7-11)9-17-19(15)22-18-10-14-8-12(2)4-6-16(14)20(18)21-17/h3-8H,9-10H2,1-2H3
InChIKeyVHSASTLEBCCQDM-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.24
Rot. Bonds

About 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 143243946) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
PubChem CID143243946
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCc1ccc2c(c1)Cc1nc3c(nc1-2)Cc1cc(C)ccc1-3
InChIInChI=1S/C20H16N2/c1-11-3-5-15-13(7-11)9-17-19(15)22-18-10-14-8-12(2)4-6-16(14)20(18)21-17/h3-8H,9-10H2,1-2H3
InChIKeyVHSASTLEBCCQDM-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (CID 143243946) is 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is Cc1ccc2c(c1)Cc1nc3c(nc1-2)Cc1cc(C)ccc1-3.
What is the InChIKey of 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is VHSASTLEBCCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-11-3-5-15-13(7-11)9-17-19(15)22-18-10-14-8-12(2)4-6-16(14)20(18)21-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 284.36 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-dimethyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 143243946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).