7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene

C19H16N2O — CID 118155097

IUPAC7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene
SMILESCc1cc(-c2cc3cc4c(cc3cn2)C2CCC4O2)ccn1
InChIInChI=1S/C19H16N2O/c1-11-6-12(4-5-20-11)17-9-13-7-15-16(8-14(13)10-21-17)19-3-2-18(15)22-19/h4-10,18-19H,2-3H2,1H3
InChIKeyQIKAWPPNCCSRAU-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.51
Rot. Bonds1

About 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene

7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene (PubChem CID 118155097) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene.

Molecular Properties

Compound Name7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene
PubChem CID118155097
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene
SMILESCc1cc(-c2cc3cc4c(cc3cn2)C2CCC4O2)ccn1
InChIInChI=1S/C19H16N2O/c1-11-6-12(4-5-20-11)17-9-13-7-15-16(8-14(13)10-21-17)19-3-2-18(15)22-19/h4-10,18-19H,2-3H2,1H3
InChIKeyQIKAWPPNCCSRAU-UHFFFAOYSA-N
XLogP4.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene?
The IUPAC name of 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene (CID 118155097) is 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene.
What is the SMILES notation for 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene?
The canonical SMILES for 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene is Cc1cc(-c2cc3cc4c(cc3cn2)C2CCC4O2)ccn1.
What is the InChIKey of 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene?
The InChIKey is QIKAWPPNCCSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-11-6-12(4-5-20-11)17-9-13-7-15-16(8-14(13)10-21-17)19-3-2-18(15)22-19/h4-10,18-19H,2-3H2,1H3.
What are the key properties of 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene?
7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene has a molecular weight of 288.35 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-4-pyridinyl)-15-oxa-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene is sourced from PubChem (CID 118155097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).