[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium

C18H24N3O+ — CID 7046168

IUPAC[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
SMILESCC[NH+](CC)CC(=O)Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C18H23N3O/c1-3-21(4-2)12-17(22)20-18-13-8-5-6-10-15(13)19-16-11-7-9-14(16)18/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3,(H,19,20,22)/p+1
InChIKeyWLSUNCYDXDVBSK-UHFFFAOYSA-O
MW298.41 g/mol
LogP1.59
Rot. Bonds5

About [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium

[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium (PubChem CID 7046168) has the molecular formula C18H24N3O+ and a molecular weight of 298.41 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
PubChem CID7046168
Molecular FormulaC18H24N3O+
Molecular Weight298.41 g/mol
Exact Mass298.19
IUPAC Name[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
SMILESCC[NH+](CC)CC(=O)Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C18H23N3O/c1-3-21(4-2)12-17(22)20-18-13-8-5-6-10-15(13)19-16-11-7-9-14(16)18/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3,(H,19,20,22)/p+1
InChIKeyWLSUNCYDXDVBSK-UHFFFAOYSA-O
XLogP1.59
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-dipentylazanium;2-hydroxy-2-oxoacetate
CID 44659981
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
CID 44784201
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
CID 6456059
[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium
CID 3465625
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanamide
CID 3955935
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
CID 3078989
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;bis(2-hydroxy-2-oxoacetate)
CID 44658222
2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
CID 3905231
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
2-(5-methyl-2,4-dioxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
CID 19436935

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium?
The IUPAC name of [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium (CID 7046168) is [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium.
What is the SMILES notation for [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium?
The canonical SMILES for [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium is CC[NH+](CC)CC(=O)Nc1c2c(nc3ccccc13)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium?
The InChIKey is WLSUNCYDXDVBSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O/c1-3-21(4-2)12-17(22)20-18-13-8-5-6-10-15(13)19-16-11-7-9-14(16)18/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3,(H,19,20,22)/p+1.
What are the key properties of [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium?
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium has a molecular weight of 298.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium is sourced from PubChem (CID 7046168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).