N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide

C18H22FN3OS — CID 134307210

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCCc2ccc(F)cc21)c1ccsc1
InChIInChI=1S/C18H22FN3OS/c1-21(2)17(14-7-9-24-12-14)11-20-18(23)22-8-3-4-13-5-6-15(19)10-16(13)22/h5-7,9-10,12,17H,3-4,8,11H2,1-2H3,(H,20,23)
InChIKeyPJJGKWBAFPTSNY-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.65
Rot. Bonds4

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 134307210) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID134307210
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCCc2ccc(F)cc21)c1ccsc1
InChIInChI=1S/C18H22FN3OS/c1-21(2)17(14-7-9-24-12-14)11-20-18(23)22-8-3-4-13-5-6-15(19)10-16(13)22/h5-7,9-10,12,17H,3-4,8,11H2,1-2H3,(H,20,23)
InChIKeyPJJGKWBAFPTSNY-UHFFFAOYSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide
CID 52796514
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
tert-butyl N-[2-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]-1-thiophen-3-ylethyl]-N-methylcarbamate
CID 138736247
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
CID 134307213
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
1-acetyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 47024535
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 32633489
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
CID 30606373
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55588965
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2,3-dihydroindole-1-carboxamide
CID 52592244
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 32631497

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide (CID 134307210) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide is CN(C)C(CNC(=O)N1CCCc2ccc(F)cc21)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is PJJGKWBAFPTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-21(2)17(14-7-9-24-12-14)11-20-18(23)22-8-3-4-13-5-6-15(19)10-16(13)22/h5-7,9-10,12,17H,3-4,8,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 134307210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).