N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide

C18H18FN3O2 — CID 2323657

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c19-15-9-7-14(8-10-15)18(24)21-20-17(23)12-22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2,(H,20,23)(H,21,24)
InChIKeyNRLWIRRVRXJXEY-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.04
Rot. Bonds3

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide (PubChem CID 2323657) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
PubChem CID2323657
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c19-15-9-7-14(8-10-15)18(24)21-20-17(23)12-22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2,(H,20,23)(H,21,24)
InChIKeyNRLWIRRVRXJXEY-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide (CID 2323657) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide?
The InChIKey is NRLWIRRVRXJXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-9-7-14(8-10-15)18(24)21-20-17(23)12-22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide has a molecular weight of 327.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 2323657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).