6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide

C21H19FN2O3 — CID 143149286

IUPAC6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide
SMILESC=Cc1c(C(=O)NCCc2ccc(F)cc2)c(O)c2ncccc2c1OC
InChIInChI=1S/C21H19FN2O3/c1-3-15-17(19(25)18-16(20(15)27-2)5-4-11-23-18)21(26)24-12-10-13-6-8-14(22)9-7-13/h3-9,11,25H,1,10,12H2,2H3,(H,24,26)
InChIKeyIAFWZYSPFPNMEK-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.70
Rot. Bonds6

About 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide

6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide (PubChem CID 143149286) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide.

Molecular Properties

Compound Name6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide
PubChem CID143149286
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide
SMILESC=Cc1c(C(=O)NCCc2ccc(F)cc2)c(O)c2ncccc2c1OC
InChIInChI=1S/C21H19FN2O3/c1-3-15-17(19(25)18-16(20(15)27-2)5-4-11-23-18)21(26)24-12-10-13-6-8-14(22)9-7-13/h3-9,11,25H,1,10,12H2,2H3,(H,24,26)
InChIKeyIAFWZYSPFPNMEK-UHFFFAOYSA-N
XLogP3.70
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione
CID 10450637
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide
CID 135869555
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
7-[(4-fluorophenyl)methyl]-5-methoxypyrrolo[3,4-g]quinoline-8,9-diol
CID 91489906

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide?
The IUPAC name of 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide (CID 143149286) is 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide.
What is the SMILES notation for 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide?
The canonical SMILES for 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide is C=Cc1c(C(=O)NCCc2ccc(F)cc2)c(O)c2ncccc2c1OC.
What is the InChIKey of 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide?
The InChIKey is IAFWZYSPFPNMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-3-15-17(19(25)18-16(20(15)27-2)5-4-11-23-18)21(26)24-12-10-13-6-8-14(22)9-7-13/h3-9,11,25H,1,10,12H2,2H3,(H,24,26).
What are the key properties of 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide?
6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide is sourced from PubChem (CID 143149286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).