8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C19H18N2O2 — CID 51360703

IUPAC8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3O2)cn1
InChIInChI=1S/C19H18N2O2/c1-21-8-7-12-13(11-3-6-17(22-2)20-10-11)9-14-15-4-5-16(23-15)18(14)19(12)21/h3,6-10,15-16H,4-5H2,1-2H3
InChIKeyKZAHSBDLOYZJSV-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.16
Rot. Bonds2

About 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360703) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-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-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360703
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCOc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3O2)cn1
InChIInChI=1S/C19H18N2O2/c1-21-8-7-12-13(11-3-6-17(22-2)20-10-11)9-14-15-4-5-16(23-15)18(14)19(12)21/h3,6-10,15-16H,4-5H2,1-2H3
InChIKeyKZAHSBDLOYZJSV-UHFFFAOYSA-N
XLogP4.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-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-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360703) is 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-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-14-oxa-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-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is COc1ccc(-c2cc3c(c4c2ccn4C)C2CCC3O2)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is KZAHSBDLOYZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-21-8-7-12-13(11-3-6-17(22-2)20-10-11)9-14-15-4-5-16(23-15)18(14)19(12)21/h3,6-10,15-16H,4-5H2,1-2H3.
What are the key properties of 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 306.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-3-pyridinyl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).