6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid

C16H19N3O4 — CID 19608777

IUPAC6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
SMILESO=C(NCCN1CCOCC1)c1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C16H19N3O4/c20-15(17-3-4-19-5-7-23-8-6-19)12-2-1-11-9-14(16(21)22)18-13(11)10-12/h1-2,9-10,18H,3-8H2,(H,17,20)(H,21,22)
InChIKeyGCLRYWKZLGKHIR-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.93
Rot. Bonds5

About 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid

6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid (PubChem CID 19608777) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
PubChem CID19608777
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
SMILESO=C(NCCN1CCOCC1)c1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C16H19N3O4/c20-15(17-3-4-19-5-7-23-8-6-19)12-2-1-11-9-14(16(21)22)18-13(11)10-12/h1-2,9-10,18H,3-8H2,(H,17,20)(H,21,22)
InChIKeyGCLRYWKZLGKHIR-UHFFFAOYSA-N
XLogP0.93
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(2-morpholin-4-ylethyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100605642

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid (CID 19608777) is 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid is O=C(NCCN1CCOCC1)c1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid?
The InChIKey is GCLRYWKZLGKHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-15(17-3-4-19-5-7-23-8-6-19)12-2-1-11-9-14(16(21)22)18-13(11)10-12/h1-2,9-10,18H,3-8H2,(H,17,20)(H,21,22).
What are the key properties of 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid?
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 19608777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).