4-amino-7-ethoxyquinoline-3-carbohydrazide

C12H14N4O2 — CID 66487236

IUPAC4-amino-7-ethoxyquinoline-3-carbohydrazide
SMILESCCOc1ccc2c(N)c(C(=O)NN)cnc2c1
InChIInChI=1S/C12H14N4O2/c1-2-18-7-3-4-8-10(5-7)15-6-9(11(8)13)12(17)16-14/h3-6H,2,14H2,1H3,(H2,13,15)(H,16,17)
InChIKeyPLIORDJNVGEOMP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-7-ethoxyquinoline-3-carbohydrazide

4-amino-7-ethoxyquinoline-3-carbohydrazide (PubChem CID 66487236) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-7-ethoxyquinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-amino-7-ethoxyquinoline-3-carbohydrazide
PubChem CID66487236
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-7-ethoxyquinoline-3-carbohydrazide
SMILESCCOc1ccc2c(N)c(C(=O)NN)cnc2c1
InChIInChI=1S/C12H14N4O2/c1-2-18-7-3-4-8-10(5-7)15-6-9(11(8)13)12(17)16-14/h3-6H,2,14H2,1H3,(H2,13,15)(H,16,17)
InChIKeyPLIORDJNVGEOMP-UHFFFAOYSA-N
XLogP0.82
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-ethoxyquinoline-3-carboxylic acid
CID 66487246
4,7-diaminoquinoline-3-carbohydrazide
CID 50877665
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
1-(2-amino-5-ethoxyphenyl)butan-1-one
CID 83987893
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
CID 174250162
7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
CID 22765617
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethoxyquinoline-3-carbohydrazide?
The IUPAC name of 4-amino-7-ethoxyquinoline-3-carbohydrazide (CID 66487236) is 4-amino-7-ethoxyquinoline-3-carbohydrazide.
What is the SMILES notation for 4-amino-7-ethoxyquinoline-3-carbohydrazide?
The canonical SMILES for 4-amino-7-ethoxyquinoline-3-carbohydrazide is CCOc1ccc2c(N)c(C(=O)NN)cnc2c1.
What is the InChIKey of 4-amino-7-ethoxyquinoline-3-carbohydrazide?
The InChIKey is PLIORDJNVGEOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-7-3-4-8-10(5-7)15-6-9(11(8)13)12(17)16-14/h3-6H,2,14H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 4-amino-7-ethoxyquinoline-3-carbohydrazide?
4-amino-7-ethoxyquinoline-3-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethoxyquinoline-3-carbohydrazide is sourced from PubChem (CID 66487236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).