N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide

C19H14N4O3 — CID 35069552

IUPACN'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
SMILESO=C(Cc1noc2ccccc12)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H14N4O3/c24-18(11-16-13-6-2-4-8-17(13)26-23-16)21-22-19(25)15-10-9-12-5-1-3-7-14(12)20-15/h1-10H,11H2,(H,21,24)(H,22,25)
InChIKeyGVEXNWISDOWVIN-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.38
Rot. Bonds3

About N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide

N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide (PubChem CID 35069552) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
PubChem CID35069552
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC NameN'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
SMILESO=C(Cc1noc2ccccc12)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H14N4O3/c24-18(11-16-13-6-2-4-8-17(13)26-23-16)21-22-19(25)15-10-9-12-5-1-3-7-14(12)20-15/h1-10H,11H2,(H,21,24)(H,22,25)
InChIKeyGVEXNWISDOWVIN-UHFFFAOYSA-N
XLogP2.38
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
CID 78816290
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
CID 35064538
2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 9320938
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
CID 35069467
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 90649694

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide (CID 35069552) is N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide is O=C(Cc1noc2ccccc12)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide?
The InChIKey is GVEXNWISDOWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-18(11-16-13-6-2-4-8-17(13)26-23-16)21-22-19(25)15-10-9-12-5-1-3-7-14(12)20-15/h1-10H,11H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide?
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide has a molecular weight of 346.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35069552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).