4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid

C13H14N4O3 — CID 64622277

IUPAC4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid
SMILESCCNC(=O)CNc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C13H14N4O3/c1-2-14-10(18)7-15-11-8-5-3-4-6-9(8)16-17-12(11)13(19)20/h3-6H,2,7H2,1H3,(H,14,18)(H,15,16)(H,19,20)
InChIKeyWDCSJUPZKOAVKO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.88
Rot. Bonds5

About 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid

4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid (PubChem CID 64622277) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid
PubChem CID64622277
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid
SMILESCCNC(=O)CNc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C13H14N4O3/c1-2-14-10(18)7-15-11-8-5-3-4-6-9(8)16-17-12(11)13(19)20/h3-6H,2,7H2,1H3,(H,14,18)(H,15,16)(H,19,20)
InChIKeyWDCSJUPZKOAVKO-UHFFFAOYSA-N
XLogP0.88
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylpropylamino)cinnoline-3-carboxylic acid
CID 64622283
4-(pentan-3-ylamino)cinnoline-3-carboxylic acid
CID 64625155
4-[(5-hydroxy-4-methylpentyl)amino]cinnoline-3-carboxylic acid
CID 106161885
4-[(2-methyl-3-methylsulfanylpropyl)amino]cinnoline-3-carboxylic acid
CID 64622920
4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
CID 64623948
4-[(2-hydroxy-3-methoxypropyl)amino]cinnoline-3-carboxylic acid
CID 64623751
4-(3-methylbutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64623106
4-(3-sulfamoylpropylamino)cinnoline-3-carboxylic acid
CID 64623944
4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid
CID 106419238
4-(cyclopentylamino)cinnoline-3-carboxylic acid
CID 64625154
4-(4-hydroxybutan-2-ylamino)cinnoline-3-carboxylic acid
CID 83176269
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid?
The IUPAC name of 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid (CID 64622277) is 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid?
The canonical SMILES for 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid is CCNC(=O)CNc1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid?
The InChIKey is WDCSJUPZKOAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-14-10(18)7-15-11-8-5-3-4-6-9(8)16-17-12(11)13(19)20/h3-6H,2,7H2,1H3,(H,14,18)(H,15,16)(H,19,20).
What are the key properties of 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid?
4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid is sourced from PubChem (CID 64622277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).