2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

C21H16F2N2O2S — CID 7498670

IUPAC2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2O2S/c22-15-5-1-6-16(23)19(15)20(26)24-14-8-9-17-13(12-14)4-2-10-25(17)21(27)18-7-3-11-28-18/h1,3,5-9,11-12H,2,4,10H2,(H,24,26)
InChIKeyFEEGWWVYLOBFQN-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.87
Rot. Bonds3

About 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 7498670) has the molecular formula C21H16F2N2O2S and a molecular weight of 398.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID7498670
Molecular FormulaC21H16F2N2O2S
Molecular Weight398.43 g/mol
Exact Mass398.09
IUPAC Name2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2O2S/c22-15-5-1-6-16(23)19(15)20(26)24-14-8-9-17-13(12-14)4-2-10-25(17)21(27)18-7-3-11-28-18/h1,3,5-9,11-12H,2,4,10H2,(H,24,26)
InChIKeyFEEGWWVYLOBFQN-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiofuranylfentanyl
CID 137700027
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[4-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 15308000
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
6-[(Thiophen-2-ylmethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648056
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
CID 155567775
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 7498670) is 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is FEEGWWVYLOBFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2S/c22-15-5-1-6-16(23)19(15)20(26)24-14-8-9-17-13(12-14)4-2-10-25(17)21(27)18-7-3-11-28-18/h1,3,5-9,11-12H,2,4,10H2,(H,24,26).
What are the key properties of 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 7498670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).