2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

C23H24FN3O — CID 42749525

IUPAC2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C23H24FN3O/c24-20-10-4-2-9-18(20)22-16-19(17-8-3-5-11-21(17)26-22)23(28)25-12-15-27-13-6-1-7-14-27/h2-5,8-11,16H,1,6-7,12-15H2,(H,25,28)
InChIKeyQYAGRZMSHJDOML-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 42749525) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID42749525
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C23H24FN3O/c24-20-10-4-2-9-18(20)22-16-19(17-8-3-5-11-21(17)26-22)23(28)25-12-15-27-13-6-1-7-14-27/h2-5,8-11,16H,1,6-7,12-15H2,(H,25,28)
InChIKeyQYAGRZMSHJDOML-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
N-[2-(azepan-1-yl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide
CID 20854587
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-yloxyquinoline-4-carboxamide
CID 171346684
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (CID 42749525) is 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCCC1)c1cc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is QYAGRZMSHJDOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-20-10-4-2-9-18(20)22-16-19(17-8-3-5-11-21(17)26-22)23(28)25-12-15-27-13-6-1-7-14-27/h2-5,8-11,16H,1,6-7,12-15H2,(H,25,28).
What are the key properties of 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 42749525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).