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

C34H33N5O4 — CID 11657093

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cnccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C34H33N5O4/c40-31(38-14-16-43-17-15-38)21-39-30-19-25(34(41)42)6-9-26(30)32(22-4-2-1-3-5-22)33(39)24-8-10-27-23(18-24)7-11-28(37-27)29-20-35-12-13-36-29/h6-13,18-20,22H,1-5,14-17,21H2,(H,41,42)
InChIKeyJXVOAINRVWKMJH-UHFFFAOYSA-N
MW575.67 g/mol
LogP5.92
Rot. Bonds6

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

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid (PubChem CID 11657093) has the molecular formula C34H33N5O4 and a molecular weight of 575.67 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid
PubChem CID11657093
Molecular FormulaC34H33N5O4
Molecular Weight575.67 g/mol
Exact Mass575.25
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cnccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C34H33N5O4/c40-31(38-14-16-43-17-15-38)21-39-30-19-25(34(41)42)6-9-26(30)32(22-4-2-1-3-5-22)33(39)24-8-10-27-23(18-24)7-11-28(37-27)29-20-35-12-13-36-29/h6-13,18-20,22H,1-5,14-17,21H2,(H,41,42)
InChIKeyJXVOAINRVWKMJH-UHFFFAOYSA-N
XLogP5.92
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid (CID 11657093) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cnccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
The InChIKey is JXVOAINRVWKMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O4/c40-31(38-14-16-43-17-15-38)21-39-30-19-25(34(41)42)6-9-26(30)32(22-4-2-1-3-5-22)33(39)24-8-10-27-23(18-24)7-11-28(37-27)29-20-35-12-13-36-29/h6-13,18-20,22H,1-5,14-17,21H2,(H,41,42).
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid has a molecular weight of 575.67 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyrazin-2-ylquinolin-6-yl)indole-6-carboxylic acid is sourced from PubChem (CID 11657093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).