ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate

C19H27N7O7 — CID 159467255

IUPACethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NN.CCOC(=O)CC(=O)NNc1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C14H17N5O4.C5H10N2O3/c1-3-23-11(21)7-10(20)18-19-13-8-5-4-6-9(22-2)12(8)16-14(15)17-13;1-2-10-5(9)3-4(8)7-6/h4-6H,3,7H2,1-2H3,(H,18,20)(H3,15,16,17,19);2-3,6H2,1H3,(H,7,8)
InChIKeyLVIQPHAYLZDUHF-UHFFFAOYSA-N
MW465.47 g/mol
LogP-0.45
Rot. Bonds9

About ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate

ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate (PubChem CID 159467255) has the molecular formula C19H27N7O7 and a molecular weight of 465.47 g/mol. Its IUPAC name is ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate
PubChem CID159467255
Molecular FormulaC19H27N7O7
Molecular Weight465.47 g/mol
Exact Mass465.20
IUPAC Nameethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NN.CCOC(=O)CC(=O)NNc1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C14H17N5O4.C5H10N2O3/c1-3-23-11(21)7-10(20)18-19-13-8-5-4-6-9(22-2)12(8)16-14(15)17-13;1-2-10-5(9)3-4(8)7-6/h4-6H,3,7H2,1-2H3,(H,18,20)(H3,15,16,17,19);2-3,6H2,1H3,(H,7,8)
InChIKeyLVIQPHAYLZDUHF-UHFFFAOYSA-N
XLogP-0.45
TPSA209.88 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 5-0.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
CID 90259926
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
ethyl 2-(8-methoxy-2-methylquinolin-3-yl)acetate
CID 171788302
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide
CID 174215466
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
ethyl 3-oxo-3-(5,6,8-trimethoxyquinolin-2-yl)propanoate
CID 23657158

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate?
The IUPAC name of ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate (CID 159467255) is ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate?
The canonical SMILES for ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate is CCOC(=O)CC(=O)NN.CCOC(=O)CC(=O)NNc1nc(N)nc2c(OC)cccc12.
What is the InChIKey of ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate?
The InChIKey is LVIQPHAYLZDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4.C5H10N2O3/c1-3-23-11(21)7-10(20)18-19-13-8-5-4-6-9(22-2)12(8)16-14(15)17-13;1-2-10-5(9)3-4(8)7-6/h4-6H,3,7H2,1-2H3,(H,18,20)(H3,15,16,17,19);2-3,6H2,1H3,(H,7,8).
What are the key properties of ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate?
ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate has a molecular weight of 465.47 g/mol, XLogP of -0.45, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate is sourced from PubChem (CID 159467255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).