N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide

C23H28FN3OS — CID 7296623

IUPACN-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccc(F)cc12
InChIInChI=1S/C23H28FN3OS/c1-4-27(5-2)12-6-8-16(3)25-23(28)19-15-21(22-9-7-13-29-22)26-20-11-10-17(24)14-18(19)20/h7,9-11,13-16H,4-6,8,12H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKeyCDLCXDAHPIFRPX-INIZCTEOSA-N
MW413.56 g/mol
LogP5.34
Rot. Bonds9

About N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide

N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 7296623) has the molecular formula C23H28FN3OS and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID7296623
Molecular FormulaC23H28FN3OS
Molecular Weight413.56 g/mol
Exact Mass413.19
IUPAC NameN-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccc(F)cc12
InChIInChI=1S/C23H28FN3OS/c1-4-27(5-2)12-6-8-16(3)25-23(28)19-15-21(22-9-7-13-29-22)26-20-11-10-17(24)14-18(19)20/h7,9-11,13-16H,4-6,8,12H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKeyCDLCXDAHPIFRPX-INIZCTEOSA-N
XLogP5.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 93097670
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762160
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750065
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide (CID 7296623) is N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide is CCN(CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccc(F)cc12.
What is the InChIKey of N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is CDLCXDAHPIFRPX-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28FN3OS/c1-4-27(5-2)12-6-8-16(3)25-23(28)19-15-21(22-9-7-13-29-22)26-20-11-10-17(24)14-18(19)20/h7,9-11,13-16H,4-6,8,12H2,1-3H3,(H,25,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 7296623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).