2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide

C25H18Cl2N4O2 — CID 19592675

IUPAC2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
SMILESO=C(/C=C/c1ccccc1)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C25H18Cl2N4O2/c26-18-9-5-10-19(27)23(18)25(33)29-21-11-4-8-17-20(14-15-28-24(17)21)30-31-22(32)13-12-16-6-2-1-3-7-16/h1-15H,(H,28,30)(H,29,33)(H,31,32)/b13-12+
InChIKeySSKIEZOWRJQBGY-OUKQBFOZSA-N
MW477.35 g/mol
LogP5.95
Rot. Bonds6

About 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide

2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide (PubChem CID 19592675) has the molecular formula C25H18Cl2N4O2 and a molecular weight of 477.35 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
PubChem CID19592675
Molecular FormulaC25H18Cl2N4O2
Molecular Weight477.35 g/mol
Exact Mass476.08
IUPAC Name2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
SMILESO=C(/C=C/c1ccccc1)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C25H18Cl2N4O2/c26-18-9-5-10-19(27)23(18)25(33)29-21-11-4-8-17-20(14-15-28-24(17)21)30-31-22(32)13-12-16-6-2-1-3-7-16/h1-15H,(H,28,30)(H,29,33)(H,31,32)/b13-12+
InChIKeySSKIEZOWRJQBGY-OUKQBFOZSA-N
XLogP5.95
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 43860173
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592393
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
CID 19592406
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide (CID 19592675) is 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide is O=C(/C=C/c1ccccc1)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide?
The InChIKey is SSKIEZOWRJQBGY-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H18Cl2N4O2/c26-18-9-5-10-19(27)23(18)25(33)29-21-11-4-8-17-20(14-15-28-24(17)21)30-31-22(32)13-12-16-6-2-1-3-7-16/h1-15H,(H,28,30)(H,29,33)(H,31,32)/b13-12+.
What are the key properties of 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide?
2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide has a molecular weight of 477.35 g/mol, XLogP of 5.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide is sourced from PubChem (CID 19592675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).