N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide

C21H20FN3O — CID 50830209

IUPACN-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C21H20FN3O/c1-14-6-2-3-7-17(14)21(26)23-16-12-15-8-9-19(25-10-4-5-11-25)24-20(15)18(22)13-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,23,26)
InChIKeyASNSLASRHVMPPT-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.53
Rot. Bonds3

About N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide

N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide (PubChem CID 50830209) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide
PubChem CID50830209
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C21H20FN3O/c1-14-6-2-3-7-17(14)21(26)23-16-12-15-8-9-19(25-10-4-5-11-25)24-20(15)18(22)13-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,23,26)
InChIKeyASNSLASRHVMPPT-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110693
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea
CID 53110728
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-[(4-methylphenyl)methyl]urea
CID 53110725
1-(3-chloro-4-fluorophenyl)-3-(8-fluoro-2-piperidin-1-ylquinolin-6-yl)urea
CID 53110758
1-(4-ethoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110709
ethyl (2S)-2-[(8-fluoro-2-piperidin-1-ylquinolin-6-yl)carbamoylamino]propanoate
CID 95086547
ethyl 2-[(8-fluoro-2-piperidin-1-ylquinolin-6-yl)carbamoylamino]propanoate
CID 53110797
ethyl (3R)-3-[(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)carbamoylamino]-3-phenylpropanoate
CID 95086537
1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110801
1-(5-chloro-2-methoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110700
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
1-(2-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110812

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide?
The IUPAC name of N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide (CID 50830209) is N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide.
What is the SMILES notation for N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide?
The canonical SMILES for N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1.
What is the InChIKey of N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide?
The InChIKey is ASNSLASRHVMPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-6-2-3-7-17(14)21(26)23-16-12-15-8-9-19(25-10-4-5-11-25)24-20(15)18(22)13-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,23,26).
What are the key properties of N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide?
N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide has a molecular weight of 349.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide is sourced from PubChem (CID 50830209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).