3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride

C15H24Cl3N3O — CID 121230686

IUPAC3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride
SMILESCCNCCCNCc1c[nH]c2ccccc2c1=O.Cl.Cl.Cl
InChIInChI=1S/C15H21N3O.3ClH/c1-2-16-8-5-9-17-10-12-11-18-14-7-4-3-6-13(14)15(12)19;;;/h3-4,6-7,11,16-17H,2,5,8-10H2,1H3,(H,18,19);3*1H
InChIKeyNVKOCTWDUSZGDK-UHFFFAOYSA-N
MW368.74 g/mol
LogP2.88
Rot. Bonds7

About 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride

3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride (PubChem CID 121230686) has the molecular formula C15H24Cl3N3O and a molecular weight of 368.74 g/mol. Its IUPAC name is 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride.

Molecular Properties

Compound Name3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride
PubChem CID121230686
Molecular FormulaC15H24Cl3N3O
Molecular Weight368.74 g/mol
Exact Mass367.10
IUPAC Name3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride
SMILESCCNCCCNCc1c[nH]c2ccccc2c1=O.Cl.Cl.Cl
InChIInChI=1S/C15H21N3O.3ClH/c1-2-16-8-5-9-17-10-12-11-18-14-7-4-3-6-13(14)15(12)19;;;/h3-4,6-7,11,16-17H,2,5,8-10H2,1H3,(H,18,19);3*1H
InChIKeyNVKOCTWDUSZGDK-UHFFFAOYSA-N
XLogP2.88
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1H-quinolin-4-one
CID 10374897
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one
CID 137470450
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride?
The IUPAC name of 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride (CID 121230686) is 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride.
What is the SMILES notation for 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride?
The canonical SMILES for 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride is CCNCCCNCc1c[nH]c2ccccc2c1=O.Cl.Cl.Cl.
What is the InChIKey of 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride?
The InChIKey is NVKOCTWDUSZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.3ClH/c1-2-16-8-5-9-17-10-12-11-18-14-7-4-3-6-13(14)15(12)19;;;/h3-4,6-7,11,16-17H,2,5,8-10H2,1H3,(H,18,19);3*1H.
What are the key properties of 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride?
3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride has a molecular weight of 368.74 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride is sourced from PubChem (CID 121230686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).