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

C36H35N3O4 — CID 11649910

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5)cc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C36H35N3O4/c40-33(38-15-17-43-18-16-38)23-39-32-21-27(36(41)42)11-13-30(32)34(25-9-5-2-6-10-25)35(39)26-12-14-31-28(19-26)20-29(22-37-31)24-7-3-1-4-8-24/h1,3-4,7-8,11-14,19-22,25H,2,5-6,9-10,15-18,23H2,(H,41,42)
InChIKeyFDNJLYZAJPWCJD-UHFFFAOYSA-N
MW573.69 g/mol
LogP7.13
Rot. Bonds6

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

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid (PubChem CID 11649910) has the molecular formula C36H35N3O4 and a molecular weight of 573.69 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid
PubChem CID11649910
Molecular FormulaC36H35N3O4
Molecular Weight573.69 g/mol
Exact Mass573.26
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5)cc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C36H35N3O4/c40-33(38-15-17-43-18-16-38)23-39-32-21-27(36(41)42)11-13-30(32)34(25-9-5-2-6-10-25)35(39)26-12-14-31-28(19-26)20-29(22-37-31)24-7-3-1-4-8-24/h1,3-4,7-8,11-14,19-22,25H,2,5-6,9-10,15-18,23H2,(H,41,42)
InChIKeyFDNJLYZAJPWCJD-UHFFFAOYSA-N
XLogP7.13
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.69
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid (CID 11649910) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5)cc4c3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid?
The InChIKey is FDNJLYZAJPWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O4/c40-33(38-15-17-43-18-16-38)23-39-32-21-27(36(41)42)11-13-30(32)34(25-9-5-2-6-10-25)35(39)26-12-14-31-28(19-26)20-29(22-37-31)24-7-3-1-4-8-24/h1,3-4,7-8,11-14,19-22,25H,2,5-6,9-10,15-18,23H2,(H,41,42).
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid?
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid has a molecular weight of 573.69 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(3-phenylquinolin-6-yl)indole-6-carboxylic acid is sourced from PubChem (CID 11649910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).