N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide

C19H16Cl2N4O2 — CID 19592886

IUPACN-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCC(=O)N(C)Nc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C19H16Cl2N4O2/c1-11(26)25(2)24-15-9-10-22-18-12(15)5-3-8-16(18)23-19(27)17-13(20)6-4-7-14(17)21/h3-10H,1-2H3,(H,22,24)(H,23,27)
InChIKeyPQFUKFARKPYJMI-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.60
Rot. Bonds4

About N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide

N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592886) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592886
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC NameN-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCC(=O)N(C)Nc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C19H16Cl2N4O2/c1-11(26)25(2)24-15-9-10-22-18-12(15)5-3-8-16(18)23-19(27)17-13(20)6-4-7-14(17)21/h3-10H,1-2H3,(H,22,24)(H,23,27)
InChIKeyPQFUKFARKPYJMI-UHFFFAOYSA-N
XLogP4.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.60
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

2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
CID 19592406
2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
CID 19592675
2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2,6-dichloro-N-[4-[hydroxy-[(1-methylimidazole-2-carbonyl)amino]amino]quinolin-8-yl]benzamide
CID 57037121

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide (CID 19592886) is N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide is CC(=O)N(C)Nc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is PQFUKFARKPYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-11(26)25(2)24-15-9-10-22-18-12(15)5-3-8-16(18)23-19(27)17-13(20)6-4-7-14(17)21/h3-10H,1-2H3,(H,22,24)(H,23,27).
What are the key properties of N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 403.27 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).