N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide

C25H21ClN4O4 — CID 27690460

IUPACN-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H21ClN4O4/c26-19-9-3-1-8-17(19)21-15-18(16-7-2-4-10-20(16)28-21)24(32)30-29-23(31)12-5-13-27-25(33)22-11-6-14-34-22/h1-4,6-11,14-15H,5,12-13H2,(H,27,33)(H,29,31)(H,30,32)
InChIKeyAUBVLIQQTUBSBR-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.12
Rot. Bonds7

About N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide

N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide (PubChem CID 27690460) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
PubChem CID27690460
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC NameN-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H21ClN4O4/c26-19-9-3-1-8-17(19)21-15-18(16-7-2-4-10-20(16)28-21)24(32)30-29-23(31)12-5-13-27-25(33)22-11-6-14-34-22/h1-4,6-11,14-15H,5,12-13H2,(H,27,33)(H,29,31)(H,30,32)
InChIKeyAUBVLIQQTUBSBR-UHFFFAOYSA-N
XLogP4.12
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
2-(2-chlorophenyl)-N'-(furan-3-carbonyl)quinoline-4-carbohydrazide
CID 27020677
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
CID 4500720
2-(2-chlorophenyl)-N'-(2-chloropyridine-4-carbonyl)quinoline-4-carbohydrazide
CID 46523882
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
2-(2-chlorophenyl)-N'-(pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 26641277
N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
CID 30454501
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide (CID 27690460) is N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is AUBVLIQQTUBSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c26-19-9-3-1-8-17(19)21-15-18(16-7-2-4-10-20(16)28-21)24(32)30-29-23(31)12-5-13-27-25(33)22-11-6-14-34-22/h1-4,6-11,14-15H,5,12-13H2,(H,27,33)(H,29,31)(H,30,32).
What are the key properties of N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 476.92 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 27690460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).