4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C31H27N3O2 — CID 93017301

About 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 93017301) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• PubChem CID: 93017301
• Molecular Formula: C31H27N3O2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.21
• IUPAC Name: 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• SMILES: COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@H](C)c4cccc5ccccc45)cc3)n[nH]c1-2
• InChI: InChI=1S/C31H27N3O2/c1-19(25-9-5-7-20-6-3-4-8-26(20)25)32-31(35)22-12-10-21(11-13-22)29-28-16-14-23-18-24(36-2)15-17-27(23)30(28)34-33-29/h3-13,15,17-19H,14,16H2,1-2H3,(H,32,35)(H,33,34)/t19-/m1/s1
• InChIKey: RQAJHLQOEKGVOS-LJQANCHMSA-N
• XLogP: 6.50
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The IUPAC name of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 93017301) is 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

What is the SMILES notation for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The canonical SMILES for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@H](C)c4cccc5ccccc45)cc3)n[nH]c1-2.

What is the InChIKey of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The InChIKey is RQAJHLQOEKGVOS-LJQANCHMSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-19(25-9-5-7-20-6-3-4-8-26(20)25)32-31(35)22-12-10-21(11-13-22)29-28-16-14-23-18-24(36-2)15-17-27(23)30(28)34-33-29/h3-13,15,17-19H,14,16H2,1-2H3,(H,32,35)(H,33,34)/t19-/m1/s1.

What are the key properties of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 93017301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).