4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide

C29H26ClN3O2 — CID 18847249

IUPAC4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C29H26ClN3O2/c1-2-35-22-14-12-21(13-15-22)31-28(34)9-5-7-23-24-18-20(30)11-17-26(24)33-29(23)27-16-10-19-6-3-4-8-25(19)32-27/h3-4,6,8,10-18,33H,2,5,7,9H2,1H3,(H,31,34)
InChIKeyXEEPSIMGLBKGOT-UHFFFAOYSA-N
MW484.00 g/mol
LogP7.40
Rot. Bonds8

About 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide

4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide (PubChem CID 18847249) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
PubChem CID18847249
Molecular FormulaC29H26ClN3O2
Molecular Weight484.00 g/mol
Exact Mass483.17
IUPAC Name4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C29H26ClN3O2/c1-2-35-22-14-12-21(13-15-22)31-28(34)9-5-7-23-24-18-20(30)11-17-26(24)33-29(23)27-16-10-19-6-3-4-8-25(19)32-27/h3-4,6,8,10-18,33H,2,5,7,9H2,1H3,(H,31,34)
InChIKeyXEEPSIMGLBKGOT-UHFFFAOYSA-N
XLogP7.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
CID 18847417
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
CID 18847197
N-(5-chloro-2-methoxyphenyl)-4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847160
ethyl 4-[4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18847392
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
CID 18847215
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(2-nitrophenyl)butanamide
CID 18847240
N-(4-butylphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846827
N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847395
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide
CID 18847103
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
N-(3-acetylphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847024

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide (CID 18847249) is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide?
The InChIKey is XEEPSIMGLBKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O2/c1-2-35-22-14-12-21(13-15-22)31-28(34)9-5-7-23-24-18-20(30)11-17-26(24)33-29(23)27-16-10-19-6-3-4-8-25(19)32-27/h3-4,6,8,10-18,33H,2,5,7,9H2,1H3,(H,31,34).
What are the key properties of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide?
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide has a molecular weight of 484.00 g/mol, XLogP of 7.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 18847249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).