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

C18H21N3O5 — CID 44784201

IUPACN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
SMILESCN(C)CC(=O)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C16H19N3O.C2H2O4/c1-19(2)10-15(20)18-16-11-6-3-4-8-13(11)17-14-9-5-7-12(14)16;3-1(4)2(5)6/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,18,20);(H,3,4)(H,5,6)
InChIKeyKKKNBQDZMMDNCL-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.38
Rot. Bonds3

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

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid (PubChem CID 44784201) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
PubChem CID44784201
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
SMILESCN(C)CC(=O)Nc1c2c(nc3ccccc13)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C16H19N3O.C2H2O4/c1-19(2)10-15(20)18-16-11-6-3-4-8-13(11)17-14-9-5-7-12(14)16;3-1(4)2(5)6/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,18,20);(H,3,4)(H,5,6)
InChIKeyKKKNBQDZMMDNCL-UHFFFAOYSA-N
XLogP1.38
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.38
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-pyrrolidin-1-ylacetamide;oxalic acid
CID 6456059
[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
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-dipentylazanium;2-hydroxy-2-oxoacetate
CID 44659981
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanamide
CID 3955935
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
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-[2-(4-hydroxyphenyl)ethyl]azanium;2-hydroxy-2-oxoacetate
CID 44657081
2-(5-methyl-2,4-dioxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
CID 19436935
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid?
The IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid (CID 44784201) is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid.
What is the SMILES notation for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid?
The canonical SMILES for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid is CN(C)CC(=O)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-(dimethylamino)acetamide;oxalic acid?
The InChIKey is KKKNBQDZMMDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.C2H2O4/c1-19(2)10-15(20)18-16-11-6-3-4-8-13(11)17-14-9-5-7-12(14)16;3-1(4)2(5)6/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,18,20);(H,3,4)(H,5,6).
What are the key properties of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid?
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid has a molecular weight of 359.38 g/mol, XLogP of 1.38, 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-(dimethylamino)acetamide;oxalic acid is sourced from PubChem (CID 44784201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).