ethane;ethyl 4-aminoquinoline-3-carboxylate

C14H18N2O2 — CID 143157176

IUPACethane;ethyl 4-aminoquinoline-3-carboxylate
SMILESCC.CCOC(=O)c1cnc2ccccc2c1N
InChIInChI=1S/C12H12N2O2.C2H6/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2/h3-7H,2H2,1H3,(H2,13,14);1-2H3
InChIKeyOYJSBDLTBUQHHU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.02
Rot. Bonds2

About ethane;ethyl 4-aminoquinoline-3-carboxylate

ethane;ethyl 4-aminoquinoline-3-carboxylate (PubChem CID 143157176) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethane;ethyl 4-aminoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-aminoquinoline-3-carboxylate
PubChem CID143157176
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethane;ethyl 4-aminoquinoline-3-carboxylate
SMILESCC.CCOC(=O)c1cnc2ccccc2c1N
InChIInChI=1S/C12H12N2O2.C2H6/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2/h3-7H,2H2,1H3,(H2,13,14);1-2H3
InChIKeyOYJSBDLTBUQHHU-UHFFFAOYSA-N
XLogP3.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
CID 13295816
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-(2-cyanoethylsulfanyl)quinoline-3-carboxylate
CID 57385804
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761
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
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-aminoquinoline-3-carboxylate?
The IUPAC name of ethane;ethyl 4-aminoquinoline-3-carboxylate (CID 143157176) is ethane;ethyl 4-aminoquinoline-3-carboxylate.
What is the SMILES notation for ethane;ethyl 4-aminoquinoline-3-carboxylate?
The canonical SMILES for ethane;ethyl 4-aminoquinoline-3-carboxylate is CC.CCOC(=O)c1cnc2ccccc2c1N.
What is the InChIKey of ethane;ethyl 4-aminoquinoline-3-carboxylate?
The InChIKey is OYJSBDLTBUQHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C2H6/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2/h3-7H,2H2,1H3,(H2,13,14);1-2H3.
What are the key properties of ethane;ethyl 4-aminoquinoline-3-carboxylate?
ethane;ethyl 4-aminoquinoline-3-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-aminoquinoline-3-carboxylate is sourced from PubChem (CID 143157176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).