2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide

C18H15ClN2O2 — CID 55730969

IUPAC2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C18H15ClN2O2/c19-17-9-7-13-12-14(6-8-16(13)21-17)18(22)20-10-11-23-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,22)
InChIKeyGYFIWAIPJSAALQ-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.70
Rot. Bonds5

About 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide

2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide (PubChem CID 55730969) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
PubChem CID55730969
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C18H15ClN2O2/c19-17-9-7-13-12-14(6-8-16(13)21-17)18(22)20-10-11-23-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,22)
InChIKeyGYFIWAIPJSAALQ-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide
CID 56586514
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
2-oxo-N-(2-phenoxyethyl)-1H-pyridine-4-carboxamide
CID 103762674
N-(2-phenoxyethyl)-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088450
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-benzothiazole-6-carboxamide
CID 117092147
2-chloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]quinoline-6-carboxamide
CID 55821602
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide (CID 55730969) is 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide is O=C(NCCOc1ccccc1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide?
The InChIKey is GYFIWAIPJSAALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-17-9-7-13-12-14(6-8-16(13)21-17)18(22)20-10-11-23-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide?
2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide is sourced from PubChem (CID 55730969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).