(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid

C12H12N4O3 — CID 142617718

IUPAC(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)Oc1ccc2cccnc2c1
InChIInChI=1S/C12H12N4O3/c13-11(10(16-14)12(17)18)19-8-4-3-7-2-1-5-15-9(7)6-8/h1-6,16H,13-14H2,(H,17,18)/b11-10+
InChIKeyUMRXCHQQLKQYRE-ZHACJKMWSA-N
MW260.25 g/mol
LogP0.29
Rot. Bonds4

About (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid

(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid (PubChem CID 142617718) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid
PubChem CID142617718
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)Oc1ccc2cccnc2c1
InChIInChI=1S/C12H12N4O3/c13-11(10(16-14)12(17)18)19-8-4-3-7-2-1-5-15-9(7)6-8/h1-6,16H,13-14H2,(H,17,18)/b11-10+
InChIKeyUMRXCHQQLKQYRE-ZHACJKMWSA-N
XLogP0.29
TPSA123.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-7-yloxyacetohydrazide
CID 107315402
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
CID 142618625
quinolin-7-yl 3,5-dihydroxyhept-6-enoate
CID 22172773
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
7-(dichloromethoxy)quinoline
CID 174788382
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid?
The IUPAC name of (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid (CID 142617718) is (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid.
What is the SMILES notation for (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid?
The canonical SMILES for (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid is NN/C(C(=O)O)=C(\N)Oc1ccc2cccnc2c1.
What is the InChIKey of (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid?
The InChIKey is UMRXCHQQLKQYRE-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-11(10(16-14)12(17)18)19-8-4-3-7-2-1-5-15-9(7)6-8/h1-6,16H,13-14H2,(H,17,18)/b11-10+.
What are the key properties of (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid?
(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid has a molecular weight of 260.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid is sourced from PubChem (CID 142617718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).