5-chloro-2-methoxy-N-quinolin-5-ylbenzamide

C17H13ClN2O2 — CID 974232

IUPAC5-chloro-2-methoxy-N-quinolin-5-ylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H13ClN2O2/c1-22-16-8-7-11(18)10-13(16)17(21)20-15-6-2-5-14-12(15)4-3-9-19-14/h2-10H,1H3,(H,20,21)
InChIKeyVGICLMUFXUCUBW-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.15
Rot. Bonds3

About 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide

5-chloro-2-methoxy-N-quinolin-5-ylbenzamide (PubChem CID 974232) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-quinolin-5-ylbenzamide
PubChem CID974232
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name5-chloro-2-methoxy-N-quinolin-5-ylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H13ClN2O2/c1-22-16-8-7-11(18)10-13(16)17(21)20-15-6-2-5-14-12(15)4-3-9-19-14/h2-10H,1H3,(H,20,21)
InChIKeyVGICLMUFXUCUBW-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide (CID 974232) is 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide?
The InChIKey is VGICLMUFXUCUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-16-8-7-11(18)10-13(16)17(21)20-15-6-2-5-14-12(15)4-3-9-19-14/h2-10H,1H3,(H,20,21).
What are the key properties of 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide?
5-chloro-2-methoxy-N-quinolin-5-ylbenzamide has a molecular weight of 312.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 974232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).