2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide

C21H18FN3O3 — CID 51922809

IUPAC2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H18FN3O3/c22-14-9-7-13(8-10-14)18-12-16(15-4-1-2-5-17(15)23-18)20(26)24-25-21(27)19-6-3-11-28-19/h1-2,4-5,7-10,12,19H,3,6,11H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyLEECMYDAEXQXGC-LJQANCHMSA-N
MW379.39 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide

2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide (PubChem CID 51922809) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
PubChem CID51922809
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H18FN3O3/c22-14-9-7-13(8-10-14)18-12-16(15-4-1-2-5-17(15)23-18)20(26)24-25-21(27)19-6-3-11-28-19/h1-2,4-5,7-10,12,19H,3,6,11H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyLEECMYDAEXQXGC-LJQANCHMSA-N
XLogP2.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
CID 2318990
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
CID 9077551
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
CID 154859440
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide (CID 51922809) is 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide is O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide?
The InChIKey is LEECMYDAEXQXGC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-14-9-7-13(8-10-14)18-12-16(15-4-1-2-5-17(15)23-18)20(26)24-25-21(27)19-6-3-11-28-19/h1-2,4-5,7-10,12,19H,3,6,11H2,(H,24,26)(H,25,27)/t19-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide?
2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide has a molecular weight of 379.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 51922809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).