N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid

C20H23N3O5 — CID 6456059

IUPACN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
SMILESO=C(CN1CCCC1)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C18H21N3O.C2H2O4/c22-17(12-21-10-3-4-11-21)20-18-13-6-1-2-8-15(13)19-16-9-5-7-14(16)18;3-1(4)2(5)6/h1-2,6,8H,3-5,7,9-12H2,(H,19,20,22);(H,3,4)(H,5,6)
InChIKeyVIXLKIAYWACUGB-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.91
Rot. Bonds3

About N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid (PubChem CID 6456059) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
PubChem CID6456059
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
SMILESO=C(CN1CCCC1)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C18H21N3O.C2H2O4/c22-17(12-21-10-3-4-11-21)20-18-13-6-1-2-8-15(13)19-16-9-5-7-14(16)18;3-1(4)2(5)6/h1-2,6,8H,3-5,7,9-12H2,(H,19,20,22);(H,3,4)(H,5,6)
InChIKeyVIXLKIAYWACUGB-UHFFFAOYSA-N
XLogP1.91
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
CID 44784201
2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
CID 3078989
N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
CID 3236741
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
CID 7046168
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
2-(5-methyl-2,4-dioxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
CID 19436935
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-dipentylazanium;2-hydroxy-2-oxoacetate
CID 44659981
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
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
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-[2-(4-hydroxyphenyl)ethyl]azanium;2-hydroxy-2-oxoacetate
CID 44657081

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid?
The IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid (CID 6456059) is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid.
What is the SMILES notation for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid?
The canonical SMILES for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid is O=C(CN1CCCC1)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O.
What is the InChIKey of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid?
The InChIKey is VIXLKIAYWACUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C2H2O4/c22-17(12-21-10-3-4-11-21)20-18-13-6-1-2-8-15(13)19-16-9-5-7-14(16)18;3-1(4)2(5)6/h1-2,6,8H,3-5,7,9-12H2,(H,19,20,22);(H,3,4)(H,5,6).
What are the key properties of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid?
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid has a molecular weight of 385.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid is sourced from PubChem (CID 6456059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).