6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

C15H18ClN3O2 — CID 113206353

IUPAC6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H18ClN3O2/c16-11-1-2-12-13(10-18-14(12)9-11)15(20)17-3-4-19-5-7-21-8-6-19/h1-2,9-10,18H,3-8H2,(H,17,20)
InChIKeyRJYFXQNAJIJUDA-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.88
Rot. Bonds4

About 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (PubChem CID 113206353) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
PubChem CID113206353
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H18ClN3O2/c16-11-1-2-12-13(10-18-14(12)9-11)15(20)17-3-4-19-5-7-21-8-6-19/h1-2,9-10,18H,3-8H2,(H,17,20)
InChIKeyRJYFXQNAJIJUDA-UHFFFAOYSA-N
XLogP1.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 113210455
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 991469
5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 175282629
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
CID 11511166
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (CID 113206353) is 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is O=C(NCCN1CCOCC1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is RJYFXQNAJIJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-1-2-12-13(10-18-14(12)9-11)15(20)17-3-4-19-5-7-21-8-6-19/h1-2,9-10,18H,3-8H2,(H,17,20).
What are the key properties of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).