3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid

C35H34N4O4 — CID 11548716

About 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid (PubChem CID 11548716) has the molecular formula C35H34N4O4 and a molecular weight of 574.68 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid
• PubChem CID: 11548716
• Molecular Formula: C35H34N4O4
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.26
• IUPAC Name: 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid
• SMILES: O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccnc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
• InChI: InChI=1S/C35H34N4O4/c40-32(38-15-17-43-18-16-38)22-39-31-20-26(35(41)42)8-11-28(31)33(23-5-2-1-3-6-23)34(39)25-10-13-29-24(19-25)9-12-30(37-29)27-7-4-14-36-21-27/h4,7-14,19-21,23H,1-3,5-6,15-18,22H2,(H,41,42)
• InChIKey: RBLZWXZIOIQGAE-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 97.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid?

The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid (CID 11548716) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid.

What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid?

The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccnc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.

What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid?

The InChIKey is RBLZWXZIOIQGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O4/c40-32(38-15-17-43-18-16-38)22-39-31-20-26(35(41)42)8-11-28(31)33(23-5-2-1-3-6-23)34(39)25-10-13-29-24(19-25)9-12-30(37-29)27-7-4-14-36-21-27/h4,7-14,19-21,23H,1-3,5-6,15-18,22H2,(H,41,42).

What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid?

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid has a molecular weight of 574.68 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid is sourced from PubChem (CID 11548716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).