ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate

C16H19N3O2 — CID 64624185

IUPACethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2ccccc2c1NCC1CCC1
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)15-14(17-10-11-6-5-7-11)12-8-3-4-9-13(12)18-19-15/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,18)
InChIKeyGCUMAOCUBXKCQF-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.02
Rot. Bonds5

About ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate

ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate (PubChem CID 64624185) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate
PubChem CID64624185
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2ccccc2c1NCC1CCC1
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)15-14(17-10-11-6-5-7-11)12-8-3-4-9-13(12)18-19-15/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,18)
InChIKeyGCUMAOCUBXKCQF-UHFFFAOYSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
CID 64624194
ethyl 4-(2,2,2-trifluoroethylamino)cinnoline-3-carboxylate
CID 64624179
ethyl 4-(3-methylbutylamino)cinnoline-3-carboxylate
CID 64624176
ethyl 4-(1,3-dihydroxypropan-2-ylamino)cinnoline-3-carboxylate
CID 65313889
ethyl 4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carboxylate
CID 133406275
ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
CID 64624967
ethyl 3-amino-2-(cyclobutylmethylamino)benzoate
CID 112578067
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
4-(2,2-dimethylpropylamino)cinnoline-3-carboxylic acid
CID 64622283
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
ethyl 4-[1-hydroxypropan-2-yl(methyl)amino]cinnoline-3-carboxylate
CID 104552290

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate?
The IUPAC name of ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate (CID 64624185) is ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate is CCOC(=O)c1nnc2ccccc2c1NCC1CCC1.
What is the InChIKey of ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate?
The InChIKey is GCUMAOCUBXKCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-16(20)15-14(17-10-11-6-5-7-11)12-8-3-4-9-13(12)18-19-15/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,18).
What are the key properties of ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate?
ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate is sourced from PubChem (CID 64624185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).