ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate

C16H19N3O2 — CID 115967641

IUPACethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate
SMILESC=C(C)CN(C)c1c(C(=O)OCC)nnc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-5-21-16(20)14-15(19(4)10-11(2)3)12-8-6-7-9-13(12)17-18-14/h6-9H,2,5,10H2,1,3-4H3
InChIKeyYKHFBCFHWHCDJI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.82
Rot. Bonds5

About ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate

ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate (PubChem CID 115967641) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate
PubChem CID115967641
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate
SMILESC=C(C)CN(C)c1c(C(=O)OCC)nnc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-5-21-16(20)14-15(19(4)10-11(2)3)12-8-6-7-9-13(12)17-18-14/h6-9H,2,5,10H2,1,3-4H3
InChIKeyYKHFBCFHWHCDJI-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[1-hydroxypropan-2-yl(methyl)amino]cinnoline-3-carboxylate
CID 104552290
ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
CID 64624967
4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid
CID 64624572
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-(cyclobutylamino)cinnoline-3-carboxylate
CID 64624194
ethyl 4-(3-methylbutylamino)cinnoline-3-carboxylate
CID 64624176
ethyl cyclohepta[f]indazole-3-carboxylate
CID 150801024
ethyl 4-(cyclobutylmethylamino)cinnoline-3-carboxylate
CID 64624185
4-(N-methylanilino)cinnoline-3-carboxylic acid
CID 64622262
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate?
The IUPAC name of ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate (CID 115967641) is ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate?
The canonical SMILES for ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate is C=C(C)CN(C)c1c(C(=O)OCC)nnc2ccccc12.
What is the InChIKey of ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate?
The InChIKey is YKHFBCFHWHCDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-5-21-16(20)14-15(19(4)10-11(2)3)12-8-6-7-9-13(12)17-18-14/h6-9H,2,5,10H2,1,3-4H3.
What are the key properties of ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate?
ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate is sourced from PubChem (CID 115967641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).