ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate

C19H19N3O2 — CID 70430235

IUPACethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(-c2c(N)cnc3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-2-24-19(23)18(21)13-9-7-12(8-10-13)17-14-5-3-4-6-16(14)22-11-15(17)20/h3-11,18H,2,20-21H2,1H3
InChIKeyIVAQVASKPGUCOX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate

ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate (PubChem CID 70430235) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate
PubChem CID70430235
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(-c2c(N)cnc3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-2-24-19(23)18(21)13-9-7-12(8-10-13)17-14-5-3-4-6-16(14)22-11-15(17)20/h3-11,18H,2,20-21H2,1H3
InChIKeyIVAQVASKPGUCOX-UHFFFAOYSA-N
XLogP3.05
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl 2-amino-2-[4-(benzenesulfonyl)phenyl]acetate
CID 3334065
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928
[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid
CID 57026745
ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate
CID 57058432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate?
The IUPAC name of ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate (CID 70430235) is ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate is CCOC(=O)C(N)c1ccc(-c2c(N)cnc3ccccc23)cc1.
What is the InChIKey of ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate?
The InChIKey is IVAQVASKPGUCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-24-19(23)18(21)13-9-7-12(8-10-13)17-14-5-3-4-6-16(14)22-11-15(17)20/h3-11,18H,2,20-21H2,1H3.
What are the key properties of ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate?
ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate has a molecular weight of 321.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate is sourced from PubChem (CID 70430235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).