3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride

C15H22ClN3O2 — CID 18626944

IUPAC3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride
SMILESC[N+](C)(C)CCCNC(=O)c1cc(O)c2cc[nH]c2c1.[Cl-]
InChIInChI=1S/C15H21N3O2.ClH/c1-18(2,3)8-4-6-17-15(20)11-9-13-12(5-7-16-13)14(19)10-11;/h5,7,9-10H,4,6,8H2,1-3H3,(H2-,16,17,19,20);1H
InChIKeyPMLUGTRERVMQKK-UHFFFAOYSA-N
MW311.81 g/mol
LogP-1.30
Rot. Bonds5

About 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride

3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride (PubChem CID 18626944) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride.

Molecular Properties

Compound Name3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride
PubChem CID18626944
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride
SMILESC[N+](C)(C)CCCNC(=O)c1cc(O)c2cc[nH]c2c1.[Cl-]
InChIInChI=1S/C15H21N3O2.ClH/c1-18(2,3)8-4-6-17-15(20)11-9-13-12(5-7-16-13)14(19)10-11;/h5,7,9-10H,4,6,8H2,1-3H3,(H2-,16,17,19,20);1H
InChIKeyPMLUGTRERVMQKK-UHFFFAOYSA-N
XLogP-1.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
CID 17387279
3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium
CID 18626942
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 169304012
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride?
The IUPAC name of 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride (CID 18626944) is 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride.
What is the SMILES notation for 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride?
The canonical SMILES for 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride is C[N+](C)(C)CCCNC(=O)c1cc(O)c2cc[nH]c2c1.[Cl-].
What is the InChIKey of 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride?
The InChIKey is PMLUGTRERVMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-18(2,3)8-4-6-17-15(20)11-9-13-12(5-7-16-13)14(19)10-11;/h5,7,9-10H,4,6,8H2,1-3H3,(H2-,16,17,19,20);1H.
What are the key properties of 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride?
3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride has a molecular weight of 311.81 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride is sourced from PubChem (CID 18626944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).