2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide

C18H15ClN2O2 — CID 75511404

IUPAC2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCc1cc(Cl)nc2ccccc12
InChIInChI=1S/C18H15ClN2O2/c19-17-9-13(14-6-2-3-7-15(14)21-17)11-23-16-8-4-1-5-12(16)10-18(20)22/h1-9H,10-11H2,(H2,20,22)
InChIKeyOOPVWAVALKJZOZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.49
Rot. Bonds5

About 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide

2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide (PubChem CID 75511404) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
PubChem CID75511404
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCc1cc(Cl)nc2ccccc12
InChIInChI=1S/C18H15ClN2O2/c19-17-9-13(14-6-2-3-7-15(14)21-17)11-23-16-8-4-1-5-12(16)10-18(20)22/h1-9H,10-11H2,(H2,20,22)
InChIKeyOOPVWAVALKJZOZ-UHFFFAOYSA-N
XLogP3.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
4-[(2-bromophenyl)methoxy]-2-chloroquinoline
CID 42597758
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112967
2-(2-chloro-6-hydroxyquinolin-4-yl)acetic acid
CID 84700355
5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907385
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid
CID 121347497
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloroquinoline-4-carboxylate
CID 55492448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide (CID 75511404) is 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide is NC(=O)Cc1ccccc1OCc1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide?
The InChIKey is OOPVWAVALKJZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-17-9-13(14-6-2-3-7-15(14)21-17)11-23-16-8-4-1-5-12(16)10-18(20)22/h1-9H,10-11H2,(H2,20,22).
What are the key properties of 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide?
2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 75511404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).