11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene

C20H24N2 — CID 118642184

IUPAC11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene
SMILESc1cc2c(cn1)CCc1c(ncc3c1CCCCCC3)CC2
InChIInChI=1S/C20H24N2/c1-2-4-6-18-17(5-3-1)14-22-20-10-8-15-11-12-21-13-16(15)7-9-19(18)20/h11-14H,1-10H2
InChIKeyNEXDJULINUDBDX-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.02
Rot. Bonds

About 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene

11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene (PubChem CID 118642184) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene.

Molecular Properties

Compound Name11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene
PubChem CID118642184
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene
SMILESc1cc2c(cn1)CCc1c(ncc3c1CCCCCC3)CC2
InChIInChI=1S/C20H24N2/c1-2-4-6-18-17(5-3-1)14-22-20-10-8-15-11-12-21-13-16(15)7-9-19(18)20/h11-14H,1-10H2
InChIKeyNEXDJULINUDBDX-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene with MolForge

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Related Compounds

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3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 12764659
ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
CID 158071655
N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine
CID 135742182
1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline
CID 139513360
4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 126704564
N-(5,6-dihydrocyclopenta[c]pyridin-7-ylidene)hydroxylamine
CID 73297438
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazine
CID 10844537
4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 133056624
6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine
CID 15855511

Frequently Asked Questions

What is the IUPAC name of 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene?
The IUPAC name of 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene (CID 118642184) is 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene.
What is the SMILES notation for 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene?
The canonical SMILES for 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene is c1cc2c(cn1)CCc1c(ncc3c1CCCCCC3)CC2.
What is the InChIKey of 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene?
The InChIKey is NEXDJULINUDBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-4-6-18-17(5-3-1)14-22-20-10-8-15-11-12-21-13-16(15)7-9-19(18)20/h11-14H,1-10H2.
What are the key properties of 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene?
11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene has a molecular weight of 292.43 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,18-diazatetracyclo[10.10.0.02,9.015,20]docosa-1,9,11,15(20),16,18-hexaene is sourced from PubChem (CID 118642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).