10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C32H19N3 — CID 121298182

About 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 121298182) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 121298182
• Molecular Formula: C32H19N3
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.16
• IUPAC Name: 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2cccc3cncnc23)c1
• InChI: InChI=1S/C32H19N3/c1-3-13-29-25(10-1)27-16-23(17-28-26-11-2-4-14-30(26)35(29)32(27)28)20-7-5-8-21(15-20)24-12-6-9-22-18-33-19-34-31(22)24/h1-19H
• InChIKey: VQSSIIKONVQASH-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 121298182) is 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2cccc3cncnc23)c1.

What is the InChIKey of 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is VQSSIIKONVQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c1-3-13-29-25(10-1)27-16-23(17-28-26-11-2-4-14-30(26)35(29)32(27)28)20-7-5-8-21(15-20)24-12-6-9-22-18-33-19-34-31(22)24/h1-19H.

What are the key properties of 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 445.53 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3-quinazolin-8-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 121298182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).