ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate

C20H22N4O2 — CID 10066474

IUPACethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N)cccc2c1NCCc1ccccc1N
InChIInChI=1S/C20H22N4O2/c1-2-26-20(25)15-12-24-19-14(7-5-9-17(19)22)18(15)23-11-10-13-6-3-4-8-16(13)21/h3-9,12H,2,10-11,21-22H2,1H3,(H,23,24)
InChIKeyUKZVHDFTXLHGLJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds6

About ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate

ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate (PubChem CID 10066474) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
PubChem CID10066474
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Nameethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N)cccc2c1NCCc1ccccc1N
InChIInChI=1S/C20H22N4O2/c1-2-26-20(25)15-12-24-19-14(7-5-9-17(19)22)18(15)23-11-10-13-6-3-4-8-16(13)21/h3-9,12H,2,10-11,21-22H2,1H3,(H,23,24)
InChIKeyUKZVHDFTXLHGLJ-UHFFFAOYSA-N
XLogP3.23
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 22238992
ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
CID 10068907
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
CID 7320785

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate (CID 10066474) is ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(N)cccc2c1NCCc1ccccc1N.
What is the InChIKey of ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate?
The InChIKey is UKZVHDFTXLHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-26-20(25)15-12-24-19-14(7-5-9-17(19)22)18(15)23-11-10-13-6-3-4-8-16(13)21/h3-9,12H,2,10-11,21-22H2,1H3,(H,23,24).
What are the key properties of ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate?
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate is sourced from PubChem (CID 10066474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).