7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide

C22H18FN3O — CID 71940493

IUPAC7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NCCc1ccc2ccccc2n1
InChIInChI=1S/C22H18FN3O/c1-14-19(12-16-6-8-17(23)13-21(16)25-14)22(27)24-11-10-18-9-7-15-4-2-3-5-20(15)26-18/h2-9,12-13H,10-11H2,1H3,(H,24,27)
InChIKeyADUWKUKOMCJJOO-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.20
Rot. Bonds4

About 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide

7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide (PubChem CID 71940493) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
PubChem CID71940493
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NCCc1ccc2ccccc2n1
InChIInChI=1S/C22H18FN3O/c1-14-19(12-16-6-8-17(23)13-21(16)25-14)22(27)24-11-10-18-9-7-15-4-2-3-5-20(15)26-18/h2-9,12-13H,10-11H2,1H3,(H,24,27)
InChIKeyADUWKUKOMCJJOO-UHFFFAOYSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
7-fluoro-2-methyl-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-3-carboxamide
CID 46569951
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171
7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
CID 119392326
2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide (CID 71940493) is 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NCCc1ccc2ccccc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide?
The InChIKey is ADUWKUKOMCJJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-19(12-16-6-8-17(23)13-21(16)25-14)22(27)24-11-10-18-9-7-15-4-2-3-5-20(15)26-18/h2-9,12-13H,10-11H2,1H3,(H,24,27).
What are the key properties of 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide?
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 71940493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).