N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C24H28FN3O2S — CID 26347373

IUPACN-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1cccs1
InChIInChI=1S/C24H28FN3O2S/c1-30-13-12-28(24(29)22-7-6-14-31-22)17-19-15-18-8-9-20(25)16-21(18)26-23(19)27-10-4-2-3-5-11-27/h6-9,14-16H,2-5,10-13,17H2,1H3
InChIKeyBYAVHYDYNBHCOO-UHFFFAOYSA-N
MW441.57 g/mol
LogP5.10
Rot. Bonds7

About N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 26347373) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID26347373
Molecular FormulaC24H28FN3O2S
Molecular Weight441.57 g/mol
Exact Mass441.19
IUPAC NameN-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1cccs1
InChIInChI=1S/C24H28FN3O2S/c1-30-13-12-28(24(29)22-7-6-14-31-22)17-19-15-18-8-9-20(25)16-21(18)26-23(19)27-10-4-2-3-5-11-27/h6-9,14-16H,2-5,10-13,17H2,1H3
InChIKeyBYAVHYDYNBHCOO-UHFFFAOYSA-N
XLogP5.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
CID 42499083
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42539160
N-[2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 119106749
[2-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 42811475
N-(2-methoxyethyl)-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3925702
N-[[5-(tert-butylcarbamoylamino)-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 46137705
N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzamide
CID 45222603
N-(2-methoxyethyl)-2-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3570299
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
N-[[5-(dimethylamino)-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 51068339
N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 51070242

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 26347373) is N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1cccs1.
What is the InChIKey of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is BYAVHYDYNBHCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-30-13-12-28(24(29)22-7-6-14-31-22)17-19-15-18-8-9-20(25)16-21(18)26-23(19)27-10-4-2-3-5-11-27/h6-9,14-16H,2-5,10-13,17H2,1H3.
What are the key properties of N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 26347373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).