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

C17H12Cl2N2O2 — CID 19592295

IUPAC2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2cc(CO)cnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O2/c18-12-4-2-5-13(19)15(12)17(23)21-14-6-1-3-11-7-10(9-22)8-20-16(11)14/h1-8,22H,9H2,(H,21,23)
InChIKeyVMHMPZTYHNXDRD-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.29
Rot. Bonds3

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

2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide (PubChem CID 19592295) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide
PubChem CID19592295
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2cc(CO)cnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O2/c18-12-4-2-5-13(19)15(12)17(23)21-14-6-1-3-11-7-10(9-22)8-20-16(11)14/h1-8,22H,9H2,(H,21,23)
InChIKeyVMHMPZTYHNXDRD-UHFFFAOYSA-N
XLogP4.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide (CID 19592295) is 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide is O=C(Nc1cccc2cc(CO)cnc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide?
The InChIKey is VMHMPZTYHNXDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-12-4-2-5-13(19)15(12)17(23)21-14-6-1-3-11-7-10(9-22)8-20-16(11)14/h1-8,22H,9H2,(H,21,23).
What are the key properties of 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide has a molecular weight of 347.20 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(hydroxymethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 19592295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).