2,4-dichloro-N-quinolin-8-ylbenzamide

C16H10Cl2N2O — CID 705779

IUPAC2,4-dichloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-11-6-7-12(13(18)9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyWBCCVWSCSIXDGC-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.79
Rot. Bonds2

About 2,4-dichloro-N-quinolin-8-ylbenzamide

2,4-dichloro-N-quinolin-8-ylbenzamide (PubChem CID 705779) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 2,4-dichloro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-quinolin-8-ylbenzamide
PubChem CID705779
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name2,4-dichloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-11-6-7-12(13(18)9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyWBCCVWSCSIXDGC-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-quinolin-8-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-quinolin-8-ylbenzamide (CID 705779) is 2,4-dichloro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-quinolin-8-ylbenzamide?
The InChIKey is WBCCVWSCSIXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-11-6-7-12(13(18)9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21).
What are the key properties of 2,4-dichloro-N-quinolin-8-ylbenzamide?
2,4-dichloro-N-quinolin-8-ylbenzamide has a molecular weight of 317.18 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 705779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).