6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C13H13N5O2 — CID 80917841

IUPAC6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESNNc1nccc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H13N5O2/c14-18-13-15-6-5-12(17-13)20-9-2-3-10-8(7-9)1-4-11(19)16-10/h2-3,5-7H,1,4,14H2,(H,16,19)(H,15,17,18)
InChIKeyLHKNZSAPBUNMBT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.44
Rot. Bonds3

About 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 80917841) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID80917841
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESNNc1nccc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H13N5O2/c14-18-13-15-6-5-12(17-13)20-9-2-3-10-8(7-9)1-4-11(19)16-10/h2-3,5-7H,1,4,14H2,(H,16,19)(H,15,17,18)
InChIKeyLHKNZSAPBUNMBT-UHFFFAOYSA-N
XLogP1.44
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one 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

6-(2-hydrazinyl-6-methylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80909861
6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503
6-[(2-hydrazinyl-4-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62466442
6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974
6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 80865656
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-2-carboxylic acid
CID 43325986
6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80865473
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081
6-[(6-hydrazinyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62244306

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 80917841) is 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is NNc1nccc(Oc2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LHKNZSAPBUNMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-18-13-15-6-5-12(17-13)20-9-2-3-10-8(7-9)1-4-11(19)16-10/h2-3,5-7H,1,4,14H2,(H,16,19)(H,15,17,18).
What are the key properties of 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 271.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 80917841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).