2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide

C22H20FN3O3 — CID 9160023

IUPAC2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C22H20FN3O3/c1-13(29-16-10-8-15(23)9-11-16)21(27)25-26-22(28)18-12-20(14-6-7-14)24-19-5-3-2-4-17(18)19/h2-5,8-14H,6-7H2,1H3,(H,25,27)(H,26,28)/t13-/m1/s1
InChIKeyGSUIECVOTDJBAH-CYBMUJFWSA-N
MW393.42 g/mol
LogP3.48
Rot. Bonds5

About 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide

2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide (PubChem CID 9160023) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
PubChem CID9160023
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C22H20FN3O3/c1-13(29-16-10-8-15(23)9-11-16)21(27)25-26-22(28)18-12-20(14-6-7-14)24-19-5-3-2-4-17(18)19/h2-5,8-14H,6-7H2,1H3,(H,25,27)(H,26,28)/t13-/m1/s1
InChIKeyGSUIECVOTDJBAH-CYBMUJFWSA-N
XLogP3.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.48
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

6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43043122
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide
CID 9158137
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944406
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944498
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide (CID 9160023) is 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide?
The InChIKey is GSUIECVOTDJBAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-13(29-16-10-8-15(23)9-11-16)21(27)25-26-22(28)18-12-20(14-6-7-14)24-19-5-3-2-4-17(18)19/h2-5,8-14H,6-7H2,1H3,(H,25,27)(H,26,28)/t13-/m1/s1.
What are the key properties of 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide?
2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide has a molecular weight of 393.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 9160023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).