N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide

C14H15ClN2O2 — CID 114297702

IUPACN-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCOCCCl)c1ccc2ccccc2n1
InChIInChI=1S/C14H15ClN2O2/c15-7-9-19-10-8-16-14(18)13-6-5-11-3-1-2-4-12(11)17-13/h1-6H,7-10H2,(H,16,18)
InChIKeyDTDLYBXLFBBAES-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide

N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide (PubChem CID 114297702) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
PubChem CID114297702
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCOCCCl)c1ccc2ccccc2n1
InChIInChI=1S/C14H15ClN2O2/c15-7-9-19-10-8-16-14(18)13-6-5-11-3-1-2-4-12(11)17-13/h1-6H,7-10H2,(H,16,18)
InChIKeyDTDLYBXLFBBAES-UHFFFAOYSA-N
XLogP2.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide (CID 114297702) is N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide is O=C(NCCOCCCl)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide?
The InChIKey is DTDLYBXLFBBAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-7-9-19-10-8-16-14(18)13-6-5-11-3-1-2-4-12(11)17-13/h1-6H,7-10H2,(H,16,18).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide?
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 114297702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).