N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide

C23H23N3O3 — CID 6598868

IUPACN'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
SMILESO=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H23N3O3/c27-22(12-16-11-14-7-8-15(16)10-14)25-26-23(28)18-13-20(21-6-3-9-29-21)24-19-5-2-1-4-17(18)19/h1-6,9,13-16H,7-8,10-12H2,(H,25,27)(H,26,28)/t14-,15+,16+/m0/s1
InChIKeyLMXDCVDHUYPWPO-ARFHVFGLSA-N
MW389.46 g/mol
LogP4.08
Rot. Bonds4

About N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide

N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide (PubChem CID 6598868) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
PubChem CID6598868
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
SMILESO=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H23N3O3/c27-22(12-16-11-14-7-8-15(16)10-14)25-26-23(28)18-13-20(21-6-3-9-29-21)24-19-5-2-1-4-17(18)19/h1-6,9,13-16H,7-8,10-12H2,(H,25,27)(H,26,28)/t14-,15+,16+/m0/s1
InChIKeyLMXDCVDHUYPWPO-ARFHVFGLSA-N
XLogP4.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.08
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-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 3331177
[2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2368094
2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide
CID 55789686
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
1-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8742136
N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2425720
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
2-(furan-2-yl)-N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]quinoline-4-carbohydrazide
CID 60548629
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395376
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174446

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
The IUPAC name of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide (CID 6598868) is N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide is O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
The InChIKey is LMXDCVDHUYPWPO-ARFHVFGLSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(12-16-11-14-7-8-15(16)10-14)25-26-23(28)18-13-20(21-6-3-9-29-21)24-19-5-2-1-4-17(18)19/h1-6,9,13-16H,7-8,10-12H2,(H,25,27)(H,26,28)/t14-,15+,16+/m0/s1.
What are the key properties of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide has a molecular weight of 389.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide is sourced from PubChem (CID 6598868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).