2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide

C23H18FN5O2 — CID 9158137

IUPAC2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H18FN5O2/c24-15-7-9-16(10-8-15)29-13-25-12-21(29)23(31)28-27-22(30)18-11-20(14-5-6-14)26-19-4-2-1-3-17(18)19/h1-4,7-14H,5-6H2,(H,27,30)(H,28,31)
InChIKeyDPHQIPSLTSUQEU-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.51
Rot. Bonds4

About 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide

2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide (PubChem CID 9158137) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide
PubChem CID9158137
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H18FN5O2/c24-15-7-9-16(10-8-15)29-13-25-12-21(29)23(31)28-27-22(30)18-11-20(14-5-6-14)26-19-4-2-1-3-17(18)19/h1-4,7-14H,5-6H2,(H,27,30)(H,28,31)
InChIKeyDPHQIPSLTSUQEU-UHFFFAOYSA-N
XLogP3.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.51
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

2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
CID 9160023
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
2-cyclopropyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 9424886
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide
CID 39983929
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide (CID 9158137) is 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide is O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide?
The InChIKey is DPHQIPSLTSUQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-15-7-9-16(10-8-15)29-13-25-12-21(29)23(31)28-27-22(30)18-11-20(14-5-6-14)26-19-4-2-1-3-17(18)19/h1-4,7-14H,5-6H2,(H,27,30)(H,28,31).
What are the key properties of 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide?
2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide has a molecular weight of 415.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 9158137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).