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

C35H34N4O4 — CID 11699805

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C35H34N4O4/c40-32(38-16-18-43-19-17-38)22-39-31-21-26(35(41)42)9-12-27(31)33(23-6-2-1-3-7-23)34(39)25-11-13-28-24(20-25)10-14-30(37-28)29-8-4-5-15-36-29/h4-5,8-15,20-21,23H,1-3,6-7,16-19,22H2,(H,41,42)
InChIKeyGHLDFWHNJICZKQ-UHFFFAOYSA-N
MW574.68 g/mol
LogP6.52
Rot. Bonds6

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

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid (PubChem CID 11699805) 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-2-ylquinolin-6-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid
PubChem CID11699805
Molecular FormulaC35H34N4O4
Molecular Weight574.68 g/mol
Exact Mass574.26
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C35H34N4O4/c40-32(38-16-18-43-19-17-38)22-39-31-21-26(35(41)42)9-12-27(31)33(23-6-2-1-3-7-23)34(39)25-11-13-28-24(20-25)10-14-30(37-28)29-8-4-5-15-36-29/h4-5,8-15,20-21,23H,1-3,6-7,16-19,22H2,(H,41,42)
InChIKeyGHLDFWHNJICZKQ-UHFFFAOYSA-N
XLogP6.52
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid (CID 11699805) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-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-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
The InChIKey is GHLDFWHNJICZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O4/c40-32(38-16-18-43-19-17-38)22-39-31-21-26(35(41)42)9-12-27(31)33(23-6-2-1-3-7-23)34(39)25-11-13-28-24(20-25)10-14-30(37-28)29-8-4-5-15-36-29/h4-5,8-15,20-21,23H,1-3,6-7,16-19,22H2,(H,41,42).
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-ylquinolin-6-yl)indole-6-carboxylic acid?
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-2-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-2-ylquinolin-6-yl)indole-6-carboxylic acid is sourced from PubChem (CID 11699805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).