7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide

C21H18FN3O — CID 56848129

IUPAC7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
SMILESCCc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H18FN3O/c1-3-18-20(21(26)24-12-15-5-4-6-16(22)9-15)13(2)17-8-7-14(11-23)10-19(17)25-18/h4-10H,3,12H2,1-2H3,(H,24,26)
InChIKeyUBYHEDSIYQXRDA-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.05
Rot. Bonds4

About 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide

7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide (PubChem CID 56848129) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
PubChem CID56848129
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
SMILESCCc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H18FN3O/c1-3-18-20(21(26)24-12-15-5-4-6-16(22)9-15)13(2)17-8-7-14(11-23)10-19(17)25-18/h4-10H,3,12H2,1-2H3,(H,24,26)
InChIKeyUBYHEDSIYQXRDA-UHFFFAOYSA-N
XLogP4.05
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-4-methyl-7-(trifluoromethyl)quinoline-3-carboxamide
CID 56848083
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-8-hydroxy-4-methylquinoline-3-carboxamide
CID 67133504
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-hydroxy-4-methylquinoline-3-carboxamide
CID 67133503
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234

Frequently Asked Questions

What is the IUPAC name of 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
The IUPAC name of 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide (CID 56848129) is 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide.
What is the SMILES notation for 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
The canonical SMILES for 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide is CCc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
The InChIKey is UBYHEDSIYQXRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-3-18-20(21(26)24-12-15-5-4-6-16(22)9-15)13(2)17-8-7-14(11-23)10-19(17)25-18/h4-10H,3,12H2,1-2H3,(H,24,26).
What are the key properties of 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 56848129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).