N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

C22H19FN2O2S — CID 55761009

IUPACN-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1)c1cccs1
InChIInChI=1S/C22H19FN2O2S/c23-18-9-10-19-17(13-18)3-1-11-25(19)22(27)16-7-5-15(6-8-16)14-24-21(26)20-4-2-12-28-20/h2,4-10,12-13H,1,3,11,14H2,(H,24,26)
InChIKeyGZQLSFZWZXRKDO-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.41
Rot. Bonds4

About N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55761009) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55761009
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1)c1cccs1
InChIInChI=1S/C22H19FN2O2S/c23-18-9-10-19-17(13-18)3-1-11-25(19)22(27)16-7-5-15(6-8-16)14-24-21(26)20-4-2-12-28-20/h2,4-10,12-13H,1,3,11,14H2,(H,24,26)
InChIKeyGZQLSFZWZXRKDO-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
tert-butyl 4-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperazine-1-carboxylate
CID 46492559
N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide
CID 42678165
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-thiophen-2-ylmethanone
CID 58857201

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide (CID 55761009) is N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1)c1cccs1.
What is the InChIKey of N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is GZQLSFZWZXRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-18-9-10-19-17(13-18)3-1-11-25(19)22(27)16-7-5-15(6-8-16)14-24-21(26)20-4-2-12-28-20/h2,4-10,12-13H,1,3,11,14H2,(H,24,26).
What are the key properties of N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55761009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).