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

C19H19N3O2 — CID 57058432

IUPACethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2c(N)cnc3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-2-24-18(23)11-13-7-9-14(10-8-13)22-19-15-5-3-4-6-17(15)21-12-16(19)20/h3-10,12H,2,11,20H2,1H3,(H,21,22)
InChIKeyPSUBAQKQYYANOV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.67
Rot. Bonds5

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

ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate (PubChem CID 57058432) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate
PubChem CID57058432
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2c(N)cnc3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-2-24-18(23)11-13-7-9-14(10-8-13)22-19-15-5-3-4-6-17(15)21-12-16(19)20/h3-10,12H,2,11,20H2,1H3,(H,21,22)
InChIKeyPSUBAQKQYYANOV-UHFFFAOYSA-N
XLogP3.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]acetate;hydrochloride
CID 45052581
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
4-N-(3-fluoro-5-methylphenyl)quinoline-3,4-diamine
CID 103963436
ethyl 2-phenylacetate
CID 7590
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
CID 103962773
ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]acetate
CID 18962425
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
ethyl 2-phenylacetate;hydrate
CID 141257001
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
6-methyl-4-N-phenylquinoline-3,4-diamine
CID 142830758
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate (CID 57058432) is ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(Nc2c(N)cnc3ccccc23)cc1.
What is the InChIKey of ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate?
The InChIKey is PSUBAQKQYYANOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-24-18(23)11-13-7-9-14(10-8-13)22-19-15-5-3-4-6-17(15)21-12-16(19)20/h3-10,12H,2,11,20H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate?
ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate has a molecular weight of 321.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-aminoquinolin-4-yl)amino]phenyl]acetate is sourced from PubChem (CID 57058432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).