3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide

C25H28FN3O2 — CID 42499083

IUPAC3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
SMILESCOCCN(Cc1cc2cc(C)ccc2nc1N1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C25H28FN3O2/c1-18-8-9-23-20(14-18)15-21(24(27-23)28-10-3-4-11-28)17-29(12-13-31-2)25(30)19-6-5-7-22(26)16-19/h5-9,14-16H,3-4,10-13,17H2,1-2H3
InChIKeyHAOYKXGZWVXWQC-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.57
Rot. Bonds7

About 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide

3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide (PubChem CID 42499083) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
PubChem CID42499083
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
SMILESCOCCN(Cc1cc2cc(C)ccc2nc1N1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C25H28FN3O2/c1-18-8-9-23-20(14-18)15-21(24(27-23)28-10-3-4-11-28)17-29(12-13-31-2)25(30)19-6-5-7-22(26)16-19/h5-9,14-16H,3-4,10-13,17H2,1-2H3
InChIKeyHAOYKXGZWVXWQC-UHFFFAOYSA-N
XLogP4.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42539160
N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 26347373
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 42877042
3-fluoro-N-(3-methoxypropyl)-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]benzamide
CID 42278089
N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45166039
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819196
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42406671
N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-3-yl]methyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45175981
N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 45240414
ethyl (4S)-6-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42583750
N-[(3-benzyl-2-benzylsulfonylimidazol-4-yl)methyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 42825484

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide (CID 42499083) is 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide is COCCN(Cc1cc2cc(C)ccc2nc1N1CCCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide?
The InChIKey is HAOYKXGZWVXWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-18-8-9-23-20(14-18)15-21(24(27-23)28-10-3-4-11-28)17-29(12-13-31-2)25(30)19-6-5-7-22(26)16-19/h5-9,14-16H,3-4,10-13,17H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide?
3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 42499083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).