2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene

C20H20N2 — CID 72722580

IUPAC2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene
SMILESCc1ccc2c(c1)C1(C)c3[nH]c4ccccc4c3CCN1C2
InChIInChI=1S/C20H20N2/c1-13-7-8-14-12-22-10-9-16-15-5-3-4-6-18(15)21-19(16)20(22,2)17(14)11-13/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyRUWXUNHLSAYDAS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.11
Rot. Bonds

About 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene

2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene (PubChem CID 72722580) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene.

Molecular Properties

Compound Name2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene
PubChem CID72722580
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene
SMILESCc1ccc2c(c1)C1(C)c3[nH]c4ccccc4c3CCN1C2
InChIInChI=1S/C20H20N2/c1-13-7-8-14-12-22-10-9-16-15-5-3-4-6-18(15)21-19(16)20(22,2)17(14)11-13/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyRUWXUNHLSAYDAS-UHFFFAOYSA-N
XLogP4.11
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene with MolForge

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Related Compounds

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CID 72722716
2-methyl-4-[(3-methylphenyl)methylideneamino]-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 3844165
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CID 800127
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CID 10468482
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CID 3635261
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CID 3793384
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CID 73294070
(11bR)-11b-methyl-6,11-dihydro-5H-indolizino[8,7-b]indol-3-one
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(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone
CID 71106084
2-methyl-4-(thiophen-2-ylmethyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 3843052
4-(4-fluorophenyl)-2-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 3530714

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene?
The IUPAC name of 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene (CID 72722580) is 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene.
What is the SMILES notation for 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene?
The canonical SMILES for 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene is Cc1ccc2c(c1)C1(C)c3[nH]c4ccccc4c3CCN1C2.
What is the InChIKey of 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene?
The InChIKey is RUWXUNHLSAYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-7-8-14-12-22-10-9-16-15-5-3-4-6-18(15)21-19(16)20(22,2)17(14)11-13/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene?
2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene has a molecular weight of 288.39 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene is sourced from PubChem (CID 72722580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).