3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C40H24N2 — CID 146494736

About 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 146494736) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 146494736
• Molecular Formula: C40H24N2
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.19
• IUPAC Name: 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1cc(-c3cccc4cccnc34)ccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C40H24N2/c1-3-16-32-28(12-1)31-24-26(27-14-7-10-25-11-9-23-41-38(25)27)21-22-33(31)40(32)34-17-4-6-20-37(34)42-36-19-5-2-13-29(36)30-15-8-18-35(40)39(30)42/h1-24H
• InChIKey: QREIOBYBBCRETL-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 146494736) is 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc2c(c1)-c1cc(-c3cccc4cccnc34)ccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is QREIOBYBBCRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-3-16-32-28(12-1)31-24-26(27-14-7-10-25-11-9-23-41-38(25)27)21-22-33(31)40(32)34-17-4-6-20-37(34)42-36-19-5-2-13-29(36)30-15-8-18-35(40)39(30)42/h1-24H.

What are the key properties of 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 532.65 g/mol, XLogP of 9.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 146494736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).