2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide

C19H17ClN2O2 — CID 24683819

IUPAC2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C19H17ClN2O2/c1-24-14-8-6-13(7-9-14)10-11-21-19(23)16-12-18(20)22-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyCFCVXHNMJCZDKM-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide

2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 24683819) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID24683819
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C19H17ClN2O2/c1-24-14-8-6-13(7-9-14)10-11-21-19(23)16-12-18(20)22-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyCFCVXHNMJCZDKM-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide (CID 24683819) is 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is CFCVXHNMJCZDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-24-14-8-6-13(7-9-14)10-11-21-19(23)16-12-18(20)22-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.87, 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-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 24683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).