11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C26H24ClN3O2 — CID 73257354

About 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 73257354) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 73257354
• Molecular Formula: C26H24ClN3O2
• Molecular Weight: 445.95 g/mol
• Exact Mass: 445.16
• IUPAC Name: 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: CC(C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
• InChI: InChI=1S/C26H24ClN3O2/c1-15(17-5-7-20-21-11-19(27)6-8-22(21)28-23(20)10-17)26(32)29-12-16-9-18(14-29)24-3-2-4-25(31)30(24)13-16/h2-8,10-11,15-16,18,28H,9,12-14H2,1H3
• InChIKey: NLJKTOFSZHHYJC-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 58.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.95
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 73257354) is 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is CC(C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.

What is the InChIKey of 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is NLJKTOFSZHHYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-15(17-5-7-20-21-11-19(27)6-8-22(21)28-23(20)10-17)26(32)29-12-16-9-18(14-29)24-3-2-4-25(31)30(24)13-16/h2-8,10-11,15-16,18,28H,9,12-14H2,1H3.

What are the key properties of 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 445.95 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 73257354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).