1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide

C18H13N5O2 — CID 166216308

IUPAC1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide
SMILESO=C(NNc1cnc2ccccc2n1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H13N5O2/c24-17-12-6-2-1-5-11(12)9-15(21-17)18(25)23-22-16-10-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,20,22)(H,21,24)(H,23,25)
InChIKeyYEBIYZDIMRLPSX-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.23
Rot. Bonds3

About 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide

1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide (PubChem CID 166216308) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide
PubChem CID166216308
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide
SMILESO=C(NNc1cnc2ccccc2n1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H13N5O2/c24-17-12-6-2-1-5-11(12)9-15(21-17)18(25)23-22-16-10-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,20,22)(H,21,24)(H,23,25)
InChIKeyYEBIYZDIMRLPSX-UHFFFAOYSA-N
XLogP2.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(Ethylaminocarbamoyl)phenyl]methyl]-3-quinolin-8-ylurea
CID 168149870
2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 1125223
N-[[4-(propylaminocarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide
CID 162517616
1-[4-(Ethylaminocarbamoyl)phenyl]-3-quinolin-8-ylurea
CID 168149855
US20240368153, Example 7-1
CID 168269924
N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 1470918
N'-(3-benzylquinoxalin-2-yl)benzohydrazide
CID 118731254
[2-[3-(3-Benzamidopyridin-1-ium-1-yl)quinoxalin-2-yl]-2-cyanoethenylidene]azanide
CID 135492650
2-Quinolin-8-yl-2,3-dihydrophthalazine-1,4-dione
CID 3243226
N'-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3326253
4-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3774974
N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 4322148

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide?
The IUPAC name of 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide (CID 166216308) is 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide.
What is the SMILES notation for 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide?
The canonical SMILES for 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide is O=C(NNc1cnc2ccccc2n1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide?
The InChIKey is YEBIYZDIMRLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-17-12-6-2-1-5-11(12)9-15(21-17)18(25)23-22-16-10-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,20,22)(H,21,24)(H,23,25).
What are the key properties of 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide?
1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide has a molecular weight of 331.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N'-quinoxalin-2-yl-2H-isoquinoline-3-carbohydrazide is sourced from PubChem (CID 166216308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).