7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide

C20H19FN2O2 — CID 17484983

IUPAC7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccc(F)cc3nc2C)cc1
InChIInChI=1S/C20H19FN2O2/c1-13-18(11-15-5-6-16(21)12-19(15)23-13)20(24)22-10-9-14-3-7-17(25-2)8-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyAICCWMIJMYQXQF-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.66
Rot. Bonds5

About 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide

7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide (PubChem CID 17484983) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
PubChem CID17484983
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccc(F)cc3nc2C)cc1
InChIInChI=1S/C20H19FN2O2/c1-13-18(11-15-5-6-16(21)12-19(15)23-13)20(24)22-10-9-14-3-7-17(25-2)8-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyAICCWMIJMYQXQF-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide (CID 17484983) is 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide is COc1ccc(CCNC(=O)c2cc3ccc(F)cc3nc2C)cc1.
What is the InChIKey of 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide?
The InChIKey is AICCWMIJMYQXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-18(11-15-5-6-16(21)12-19(15)23-13)20(24)22-10-9-14-3-7-17(25-2)8-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide?
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 17484983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).