3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide

C19H17ClN2O2 — CID 5296032

IUPAC3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide
SMILESCc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C19H17ClN2O2/c1-13-7-8-15(12-16(13)20)19(23)22-10-11-24-17-6-2-4-14-5-3-9-21-18(14)17/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyXNFPEBAFEVXULV-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.01
Rot. Bonds5

About 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide

3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide (PubChem CID 5296032) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide
PubChem CID5296032
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide
SMILESCc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C19H17ClN2O2/c1-13-7-8-15(12-16(13)20)19(23)22-10-11-24-17-6-2-4-14-5-3-9-21-18(14)17/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyXNFPEBAFEVXULV-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide (CID 5296032) is 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide is Cc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide?
The InChIKey is XNFPEBAFEVXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-7-8-15(12-16(13)20)19(23)22-10-11-24-17-6-2-4-14-5-3-9-21-18(14)17/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide?
3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide has a molecular weight of 340.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-quinolin-8-yloxyethyl)benzamide is sourced from PubChem (CID 5296032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).