5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

C23H21N3 — CID 90282098

IUPAC5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESc1cnc2c(-c3cccc4c5c([nH]c34)C3CCN(CC3)C5)cccc2c1
InChIInChI=1S/C23H21N3/c1-4-15-5-3-11-24-21(15)17(6-1)18-7-2-8-19-20-14-26-12-9-16(10-13-26)22(20)25-23(18)19/h1-8,11,16,25H,9-10,12-14H2
InChIKeyYQGOEXMFCXVMFX-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.08
Rot. Bonds1

About 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (PubChem CID 90282098) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
PubChem CID90282098
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESc1cnc2c(-c3cccc4c5c([nH]c34)C3CCN(CC3)C5)cccc2c1
InChIInChI=1S/C23H21N3/c1-4-15-5-3-11-24-21(15)17(6-1)18-7-2-8-19-20-14-26-12-9-16(10-13-26)22(20)25-23(18)19/h1-8,11,16,25H,9-10,12-14H2
InChIKeyYQGOEXMFCXVMFX-UHFFFAOYSA-N
XLogP5.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (CID 90282098) is 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is c1cnc2c(-c3cccc4c5c([nH]c34)C3CCN(CC3)C5)cccc2c1.
What is the InChIKey of 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The InChIKey is YQGOEXMFCXVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-4-15-5-3-11-24-21(15)17(6-1)18-7-2-8-19-20-14-26-12-9-16(10-13-26)22(20)25-23(18)19/h1-8,11,16,25H,9-10,12-14H2.
What are the key properties of 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene has a molecular weight of 339.44 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 90282098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).