N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide

C19H17FN2O2 — CID 71824014

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H17FN2O2/c1-12(13-7-9-14(20)10-8-13)21-19(23)17-11-18(24-2)15-5-3-4-6-16(15)22-17/h3-12H,1-2H3,(H,21,23)
InChIKeyKCZXEVGQNPXOPL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide (PubChem CID 71824014) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
PubChem CID71824014
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H17FN2O2/c1-12(13-7-9-14(20)10-8-13)21-19(23)17-11-18(24-2)15-5-3-4-6-16(15)22-17/h3-12H,1-2H3,(H,21,23)
InChIKeyKCZXEVGQNPXOPL-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
CID 11312803
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
N-[1-(4-fluorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982729
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
4-[1-(4-fluorophenyl)ethylcarbamoyl-sulfanylamino]quinoline-2-carboxylic acid
CID 57258760
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 7028903
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide (CID 71824014) is N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide is COc1cc(C(=O)NC(C)c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is KCZXEVGQNPXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12(13-7-9-14(20)10-8-13)21-19(23)17-11-18(24-2)15-5-3-4-6-16(15)22-17/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 71824014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).