ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate

C16H21N3O3 — CID 913126

IUPACethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCCN(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-4-22-16(21)13-14(17-9-10-19(2)3)11-7-5-6-8-12(11)18-15(13)20/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20)
InChIKeySPOWSUGGAQGZFJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.68
Rot. Bonds6

About ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 913126) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
PubChem CID913126
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nameethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCCN(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-4-22-16(21)13-14(17-9-10-19(2)3)11-7-5-6-8-12(11)18-15(13)20/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20)
InChIKeySPOWSUGGAQGZFJ-UHFFFAOYSA-N
XLogP1.68
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 50776714
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate (CID 913126) is ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(NCCN(C)C)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SPOWSUGGAQGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-22-16(21)13-14(17-9-10-19(2)3)11-7-5-6-8-12(11)18-15(13)20/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 913126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).