ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate

C15H17N3O2 — CID 64624194

IUPACethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2ccccc2c1NC1CCC1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)14-13(16-10-6-5-7-10)11-8-3-4-9-12(11)17-18-14/h3-4,8-10H,2,5-7H2,1H3,(H,16,17)
InChIKeyBXDXKUXCVOVDAY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.77
Rot. Bonds4

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

ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate (PubChem CID 64624194) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
PubChem CID64624194
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2ccccc2c1NC1CCC1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)14-13(16-10-6-5-7-10)11-8-3-4-9-12(11)17-18-14/h3-4,8-10H,2,5-7H2,1H3,(H,16,17)
InChIKeyBXDXKUXCVOVDAY-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate
CID 64624185
4-(cyclopentylamino)cinnoline-3-carboxylic acid
CID 64625154
ethyl 4-(1,3-dihydroxypropan-2-ylamino)cinnoline-3-carboxylate
CID 65313889
ethyl 4-(2,2,2-trifluoroethylamino)cinnoline-3-carboxylate
CID 64624179
ethyl 4-(3-methylbutylamino)cinnoline-3-carboxylate
CID 64624176
ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514651
ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
CID 133338071
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 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
CID 141107459
ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate
CID 115967641
ethyl 4-[1-hydroxypropan-2-yl(methyl)amino]cinnoline-3-carboxylate
CID 104552290

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate?
The IUPAC name of ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate (CID 64624194) is ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate is CCOC(=O)c1nnc2ccccc2c1NC1CCC1.
What is the InChIKey of ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate?
The InChIKey is BXDXKUXCVOVDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-15(19)14-13(16-10-6-5-7-10)11-8-3-4-9-12(11)17-18-14/h3-4,8-10H,2,5-7H2,1H3,(H,16,17).
What are the key properties of ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate?
ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate is sourced from PubChem (CID 64624194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).