N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide

C22H24FN3O — CID 42907156

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCC(c3cccc(F)c3)N(C)C)c2c1
InChIInChI=1S/C22H24FN3O/c1-14-8-9-20-18(10-14)19(11-15(2)25-20)22(27)24-13-21(26(3)4)16-6-5-7-17(23)12-16/h5-12,21H,13H2,1-4H3,(H,24,27)
InChIKeyVMOPCGKXTMVNNM-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 42907156) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID42907156
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCC(c3cccc(F)c3)N(C)C)c2c1
InChIInChI=1S/C22H24FN3O/c1-14-8-9-20-18(10-14)19(11-15(2)25-20)22(27)24-13-21(26(3)4)16-6-5-7-17(23)12-16/h5-12,21H,13H2,1-4H3,(H,24,27)
InChIKeyVMOPCGKXTMVNNM-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669334
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37093996
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide (CID 42907156) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCC(c3cccc(F)c3)N(C)C)c2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is VMOPCGKXTMVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-8-9-20-18(10-14)19(11-15(2)25-20)22(27)24-13-21(26(3)4)16-6-5-7-17(23)12-16/h5-12,21H,13H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 42907156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).