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

C18H16N2O — CID 51360564

IUPAC4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccnc3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C18H16N2O/c1-20-8-6-12-13(11-3-2-7-19-10-11)9-14-15-4-5-16(21-15)17(14)18(12)20/h2-3,6-10,15-16H,4-5H2,1H3
InChIKeySRDMXXVIZUWSPJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.15
Rot. Bonds1

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

4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360564) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360564
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccnc3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C18H16N2O/c1-20-8-6-12-13(11-3-2-7-19-10-11)9-14-15-4-5-16(21-15)17(14)18(12)20/h2-3,6-10,15-16H,4-5H2,1H3
InChIKeySRDMXXVIZUWSPJ-UHFFFAOYSA-N
XLogP4.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.15
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 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360564) is 4-methyl-8-pyridin-3-yl-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 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3cccnc3)cc3c(c21)C1CCC3O1.
What is the InChIKey of 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is SRDMXXVIZUWSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20-8-6-12-13(11-3-2-7-19-10-11)9-14-15-4-5-16(21-15)17(14)18(12)20/h2-3,6-10,15-16H,4-5H2,1H3.
What are the key properties of 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 276.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-pyridin-3-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).