3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one

C11H11N5O3 — CID 68782875

IUPAC3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one
SMILESNC1Cc2cc(Oc3ncn[nH]3)ccc2N(O)C1=O
InChIInChI=1S/C11H11N5O3/c12-8-4-6-3-7(19-11-13-5-14-15-11)1-2-9(6)16(18)10(8)17/h1-3,5,8,18H,4,12H2,(H,13,14,15)
InChIKeyBKBCNFHEUGHXBN-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.20
Rot. Bonds2

About 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one

3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one (PubChem CID 68782875) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one
PubChem CID68782875
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one
SMILESNC1Cc2cc(Oc3ncn[nH]3)ccc2N(O)C1=O
InChIInChI=1S/C11H11N5O3/c12-8-4-6-3-7(19-11-13-5-14-15-11)1-2-9(6)16(18)10(8)17/h1-3,5,8,18H,4,12H2,(H,13,14,15)
InChIKeyBKBCNFHEUGHXBN-UHFFFAOYSA-N
XLogP0.20
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one (CID 68782875) is 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one is NC1Cc2cc(Oc3ncn[nH]3)ccc2N(O)C1=O.
What is the InChIKey of 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one?
The InChIKey is BKBCNFHEUGHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-8-4-6-3-7(19-11-13-5-14-15-11)1-2-9(6)16(18)10(8)17/h1-3,5,8,18H,4,12H2,(H,13,14,15).
What are the key properties of 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one?
3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one has a molecular weight of 261.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-6-(1H-1,2,4-triazol-5-yloxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68782875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).