N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide

C25H19ClN4O4 — CID 54571447

IUPACN-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C25H19ClN4O4/c1-34-23-12-15(14-27-30-24(32)17-8-11-22(31)18(26)13-17)6-9-20(23)29-25(33)21-10-7-16-4-2-3-5-19(16)28-21/h2-14,31H,1H3,(H,29,33)(H,30,32)
InChIKeyZXOCDBOVTSDTLC-UHFFFAOYSA-N
MW474.90 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide

N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide (PubChem CID 54571447) has the molecular formula C25H19ClN4O4 and a molecular weight of 474.90 g/mol. Its IUPAC name is N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide
PubChem CID54571447
Molecular FormulaC25H19ClN4O4
Molecular Weight474.90 g/mol
Exact Mass474.11
IUPAC NameN-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C25H19ClN4O4/c1-34-23-12-15(14-27-30-24(32)17-8-11-22(31)18(26)13-17)6-9-20(23)29-25(33)21-10-7-16-4-2-3-5-19(16)28-21/h2-14,31H,1H3,(H,29,33)(H,30,32)
InChIKeyZXOCDBOVTSDTLC-UHFFFAOYSA-N
XLogP4.62
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide
CID 59092385
3-chloro-N-[[3,4-dimethoxy-5-(2-pyridin-2-ylethenyl)phenyl]methylideneamino]-4-hydroxybenzamide
CID 54009178
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120682
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
2-(2-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781383
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
[2-(4-bromobenzoyl)oxy-4-[(E)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 56698301
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
[4-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3670411
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
CID 135582522
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide (CID 54571447) is N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide is COc1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide?
The InChIKey is ZXOCDBOVTSDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O4/c1-34-23-12-15(14-27-30-24(32)17-8-11-22(31)18(26)13-17)6-9-20(23)29-25(33)21-10-7-16-4-2-3-5-19(16)28-21/h2-14,31H,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide?
N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide has a molecular weight of 474.90 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide is sourced from PubChem (CID 54571447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).