8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C20H20N2O — CID 51360684

IUPAC8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cn1
InChIInChI=1S/C20H20N2O/c1-22-8-7-15-16(14-5-6-18(23-2)21-11-14)10-17-12-3-4-13(9-12)19(17)20(15)22/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyYWMQPDWPVWONCI-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.61
Rot. Bonds2

About 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360684) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360684
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cn1
InChIInChI=1S/C20H20N2O/c1-22-8-7-15-16(14-5-6-18(23-2)21-11-14)10-17-12-3-4-13(9-12)19(17)20(15)22/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyYWMQPDWPVWONCI-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360684) is 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is COc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3C2)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is YWMQPDWPVWONCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-22-8-7-15-16(14-5-6-18(23-2)21-11-14)10-17-12-3-4-13(9-12)19(17)20(15)22/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 304.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).