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

C17H14Cl2N4O2 — CID 19592299

IUPAC2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide
SMILESNNc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C17H14Cl2N4O2/c18-11-4-2-5-12(19)14(11)17(25)22-13-6-1-3-10-15(23-20)9(8-24)7-21-16(10)13/h1-7,24H,8,20H2,(H,21,23)(H,22,25)
InChIKeyCKHKEEPGZGGBPC-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.57
Rot. Bonds4

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

2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide (PubChem CID 19592299) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide
PubChem CID19592299
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide
SMILESNNc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C17H14Cl2N4O2/c18-11-4-2-5-12(19)14(11)17(25)22-13-6-1-3-10-15(23-20)9(8-24)7-21-16(10)13/h1-7,24H,8,20H2,(H,21,23)(H,22,25)
InChIKeyCKHKEEPGZGGBPC-UHFFFAOYSA-N
XLogP3.57
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide (CID 19592299) is 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide is NNc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide?
The InChIKey is CKHKEEPGZGGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c18-11-4-2-5-12(19)14(11)17(25)22-13-6-1-3-10-15(23-20)9(8-24)7-21-16(10)13/h1-7,24H,8,20H2,(H,21,23)(H,22,25).
What are the key properties of 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide?
2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide has a molecular weight of 377.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-hydrazinyl-3-(hydroxymethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 19592299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).