ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate

C17H20N2O2 — CID 133277761

IUPACethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N(C)CC1CC1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)14-10-18-15-7-5-4-6-13(15)16(14)19(2)11-12-8-9-12/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyJSKNBTPIZKGMFM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.26
Rot. Bonds5

About ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate

ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate (PubChem CID 133277761) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
PubChem CID133277761
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N(C)CC1CC1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)14-10-18-15-7-5-4-6-13(15)16(14)19(2)11-12-8-9-12/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyJSKNBTPIZKGMFM-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbothioamide
CID 62860117
ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
CID 6621000
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate (CID 133277761) is ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N(C)CC1CC1.
What is the InChIKey of ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate?
The InChIKey is JSKNBTPIZKGMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-17(20)14-10-18-15-7-5-4-6-13(15)16(14)19(2)11-12-8-9-12/h4-7,10,12H,3,8-9,11H2,1-2H3.
What are the key properties of ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate?
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 133277761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).