22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C23H17N — CID 129303440

IUPAC22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCCc1nc2ccccc2c2c3ccccc3c3ccccc3c12
InChIInChI=1S/C23H17N/c1-2-20-23-18-12-6-4-10-16(18)15-9-3-5-11-17(15)22(23)19-13-7-8-14-21(19)24-20/h3-14H,2H2,1H3
InChIKeyCHEOMXOMIZSDII-UHFFFAOYSA-N
MW307.40 g/mol
LogP6.26
Rot. Bonds1

About 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 129303440) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID129303440
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCCc1nc2ccccc2c2c3ccccc3c3ccccc3c12
InChIInChI=1S/C23H17N/c1-2-20-23-18-12-6-4-10-16(18)15-9-3-5-11-17(15)22(23)19-13-7-8-14-21(19)24-20/h3-14H,2H2,1H3
InChIKeyCHEOMXOMIZSDII-UHFFFAOYSA-N
XLogP6.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

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Related Compounds

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CID 160561458
2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline
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1-ethylphenanthro[9,10-c]pyridine
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4-ethyl-3H-pyrrolo[2,3-c]quinoline
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1-ethyl-3-fluorobenzo[f]quinazoline
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2,4-diethyl-3-(4-fluorophenoxy)quinoline
CID 174766627
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
CID 15125346
22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087
phenanthridin-6-ylmethyl-tri(propan-2-yl)silane
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Frequently Asked Questions

What is the IUPAC name of 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 129303440) is 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is CCc1nc2ccccc2c2c3ccccc3c3ccccc3c12.
What is the InChIKey of 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is CHEOMXOMIZSDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c1-2-20-23-18-12-6-4-10-16(18)15-9-3-5-11-17(15)22(23)19-13-7-8-14-21(19)24-20/h3-14H,2H2,1H3.
What are the key properties of 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 307.40 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 129303440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).