N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide

C26H23FN2O2S — CID 42277304

IUPACN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C26H23FN2O2S/c1-31-23-8-3-18(4-9-23)26-20(13-19-2-5-21(27)14-24(19)28-26)15-29(22-6-7-22)25(30)12-17-10-11-32-16-17/h2-5,8-11,13-14,16,22H,6-7,12,15H2,1H3
InChIKeyCSSYKMSGMCECQF-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.84
Rot. Bonds7

About N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide

N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42277304) has the molecular formula C26H23FN2O2S and a molecular weight of 446.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42277304
Molecular FormulaC26H23FN2O2S
Molecular Weight446.55 g/mol
Exact Mass446.15
IUPAC NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C26H23FN2O2S/c1-31-23-8-3-18(4-9-23)26-20(13-19-2-5-21(27)14-24(19)28-26)15-29(22-6-7-22)25(30)12-17-10-11-32-16-17/h2-5,8-11,13-14,16,22H,6-7,12,15H2,1H3
InChIKeyCSSYKMSGMCECQF-UHFFFAOYSA-N
XLogP5.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42430371
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42484022
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
ethyl 4-[7-chloro-3-[[cyclopropyl-(2-thiophen-3-ylacetyl)amino]methyl]quinolin-2-yl]piperazine-1-carboxylate
CID 29219099
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 30343934
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
CID 25292365
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62036851
N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
CID 118758234

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide (CID 42277304) is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide is COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is CSSYKMSGMCECQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2S/c1-31-23-8-3-18(4-9-23)26-20(13-19-2-5-21(27)14-24(19)28-26)15-29(22-6-7-22)25(30)12-17-10-11-32-16-17/h2-5,8-11,13-14,16,22H,6-7,12,15H2,1H3.
What are the key properties of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 446.55 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42277304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).