N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride

C19H22ClN3O — CID 146048636

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride
SMILESO=C(C[n+]1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2.[Cl-]
InChIInChI=1S/C19H21N3O.ClH/c23-18(13-22-11-4-1-5-12-22)21-19-14-7-2-3-9-16(14)20-17-10-6-8-15(17)19;/h1,4-5,11-12H,2-3,6-10,13H2;1H
InChIKeyMDEBKICJJOEFAT-UHFFFAOYSA-N
MW343.86 g/mol
LogP-0.62
Rot. Bonds3

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 146048636) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID146048636
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride
SMILESO=C(C[n+]1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2.[Cl-]
InChIInChI=1S/C19H21N3O.ClH/c23-18(13-22-11-4-1-5-12-22)21-19-14-7-2-3-9-16(14)20-17-10-6-8-15(17)19;/h1,4-5,11-12H,2-3,6-10,13H2;1H
InChIKeyMDEBKICJJOEFAT-UHFFFAOYSA-N
XLogP-0.62
TPSA45.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride with MolForge

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Related Compounds

2-amino-N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)acetamide;oxalic acid
CID 126477711
4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide
CID 3569162
[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium
CID 3489078
N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
CID 3236741
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide
CID 3108062
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 155615363
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
CID 7046168
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
CID 44784201
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid
CID 3240011
N-[1-hydroxy-8-[(2-pyridin-1-ium-1-ylacetyl)amino]naphthalen-2-yl]-2-pyridin-1-ium-1-ylacetamide dichloride
CID 18172744
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
CID 6456059

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride (CID 146048636) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride is O=C(C[n+]1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2.[Cl-].
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is MDEBKICJJOEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c23-18(13-22-11-4-1-5-12-22)21-19-14-7-2-3-9-16(14)20-17-10-6-8-15(17)19;/h1,4-5,11-12H,2-3,6-10,13H2;1H.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 343.86 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 146048636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).