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

C35H34N4O4 — CID 11548716

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccnc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=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)
InChIKeyRBLZWXZIOIQGAE-UHFFFAOYSA-N
MW574.68 g/mol
LogP6.52
Rot. Bonds6

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 Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid
PubChem CID11548716
Molecular FormulaC35H34N4O4
Molecular Weight574.68 g/mol
Exact Mass574.26
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-pyridin-3-ylquinolin-6-yl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccnc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=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)
InChIKeyRBLZWXZIOIQGAE-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-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).