N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

C23H18FN3O — CID 27847926

IUPACN-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H18FN3O/c24-20-9-3-1-6-16(20)11-13-26-23(28)19-14-22(17-7-5-12-25-15-17)27-21-10-4-2-8-18(19)21/h1-10,12,14-15H,11,13H2,(H,26,28)
InChIKeyLZSLSALEFLOSJI-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 27847926) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID27847926
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H18FN3O/c24-20-9-3-1-6-16(20)11-13-26-23(28)19-14-22(17-7-5-12-25-15-17)27-21-10-4-2-8-18(19)21/h1-10,12,14-15H,11,13H2,(H,26,28)
InChIKeyLZSLSALEFLOSJI-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N'-[3-(2-hydroxyphenyl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 17496046
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 27847926) is N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCCc1ccccc1F)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LZSLSALEFLOSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c24-20-9-3-1-6-16(20)11-13-26-23(28)19-14-22(17-7-5-12-25-15-17)27-21-10-4-2-8-18(19)21/h1-10,12,14-15H,11,13H2,(H,26,28).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 27847926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).