[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

C32H29N3O5S — CID 2333754

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (PubChem CID 2333754) has the molecular formula C32H29N3O5S and a molecular weight of 567.67 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.

Molecular Properties

• Compound Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
• PubChem CID: 2333754
• Molecular Formula: C32H29N3O5S
• Molecular Weight: 567.67 g/mol
• Exact Mass: 567.18
• IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
• SMILES: CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)ccc21
• InChI: InChI=1S/C32H29N3O5S/c1-2-34-29-15-6-4-13-26(29)27-20-24(16-17-30(27)34)33-31(36)21-40-32(37)23-10-7-12-25(19-23)41(38,39)35-18-8-11-22-9-3-5-14-28(22)35/h3-7,9-10,12-17,19-20H,2,8,11,18,21H2,1H3,(H,33,36)
• InChIKey: LJBNTAQUBFOSSM-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.67
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?

The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (CID 2333754) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.

What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?

The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)ccc21.

What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?

The InChIKey is LJBNTAQUBFOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O5S/c1-2-34-29-15-6-4-13-26(29)27-20-24(16-17-30(27)34)33-31(36)21-40-32(37)23-10-7-12-25(19-23)41(38,39)35-18-8-11-22-9-3-5-14-28(22)35/h3-7,9-10,12-17,19-20H,2,8,11,18,21H2,1H3,(H,33,36).

What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate has a molecular weight of 567.67 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is sourced from PubChem (CID 2333754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).