N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide

C21H21FN2O2 — CID 46677441

IUPACN-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)C(C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C21H21FN2O2/c1-13-19(12-16-11-18(26-4)9-10-20(16)23-13)21(25)24(3)14(2)15-5-7-17(22)8-6-15/h5-12,14H,1-4H3
InChIKeyDOEQVJZTXGLWRV-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide (PubChem CID 46677441) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
PubChem CID46677441
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)C(C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C21H21FN2O2/c1-13-19(12-16-11-18(26-4)9-10-20(16)23-13)21(25)24(3)14(2)15-5-7-17(22)8-6-15/h5-12,14H,1-4H3
InChIKeyDOEQVJZTXGLWRV-UHFFFAOYSA-N
XLogP4.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328
7-fluoro-N,2-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-3-carboxamide
CID 46667228
5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120620042
1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 42944993
6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
CID 36917170
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33077128
N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 37365648
7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
CID 78852957
3-fluoro-6-methoxy-2-methylquinoline
CID 89223203
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235447
7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 86858306

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide (CID 46677441) is N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)N(C)C(C)c3ccc(F)cc3)cc2c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is DOEQVJZTXGLWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13-19(12-16-11-18(26-4)9-10-20(16)23-13)21(25)24(3)14(2)15-5-7-17(22)8-6-15/h5-12,14H,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 46677441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).