24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C36H21N3S — CID 129087650

About 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 129087650) has the molecular formula C36H21N3S and a molecular weight of 527.65 g/mol. Its IUPAC name is 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 129087650
• Molecular Formula: C36H21N3S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.15
• IUPAC Name: 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc2nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)cn3)ccc2c1
• InChI: InChI=1S/C36H21N3S/c1-6-14-28-22(9-1)17-19-30(38-28)29-20-18-23(21-37-29)39-31-15-7-4-12-26(31)33-24-10-2-3-11-25(24)34-27-13-5-8-16-32(27)40-36(34)35(33)39/h1-21H
• InChIKey: SONBEXLBQRMGNM-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 129087650) is 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc2nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)cn3)ccc2c1.

What is the InChIKey of 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is SONBEXLBQRMGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3S/c1-6-14-28-22(9-1)17-19-30(38-28)29-20-18-23(21-37-29)39-31-15-7-4-12-26(31)33-24-10-2-3-11-25(24)34-27-13-5-8-16-32(27)40-36(34)35(33)39/h1-21H.

What are the key properties of 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 527.65 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(6-quinolin-2-yl-3-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 129087650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).