2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

C22H18FN3O3S — CID 51516211

IUPAC2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2F)NC2=C(C(=O)CCC2)[C@H]1c1ccco1
InChIInChI=1S/C22H18FN3O3S/c23-14-5-1-2-6-15(14)25-19(28)12-30-22-13(11-24)20(18-9-4-10-29-18)21-16(26-22)7-3-8-17(21)27/h1-2,4-6,9-10,20,26H,3,7-8,12H2,(H,25,28)/t20-/m1/s1
InChIKeyKDCKTLCXSHPKKC-HXUWFJFHSA-N
MW423.47 g/mol
LogP4.22
Rot. Bonds5

About 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 51516211) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID51516211
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2F)NC2=C(C(=O)CCC2)[C@H]1c1ccco1
InChIInChI=1S/C22H18FN3O3S/c23-14-5-1-2-6-15(14)25-19(28)12-30-22-13(11-24)20(18-9-4-10-29-18)21-16(26-22)7-3-8-17(21)27/h1-2,4-6,9-10,20,26H,3,7-8,12H2,(H,25,28)/t20-/m1/s1
InChIKeyKDCKTLCXSHPKKC-HXUWFJFHSA-N
XLogP4.22
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide with MolForge

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Related Compounds

2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 4272161
2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 1416123
2-[[(4S)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 1416122
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
CID 3160846
N-tert-butyl-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
CID 3160850
N-(3-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
CID 3784869
2-[[(4R)-3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1315308
2-[[(4S)-3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 51518825
2-[[(4S)-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 51518790
2-[[(4R)-3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide
CID 1290587
2-[[(4R)-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 51518766
2-[[(4S)-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 51518785

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 51516211) is 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is N#CC1=C(SCC(=O)Nc2ccccc2F)NC2=C(C(=O)CCC2)[C@H]1c1ccco1.
What is the InChIKey of 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is KDCKTLCXSHPKKC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c23-14-5-1-2-6-15(14)25-19(28)12-30-22-13(11-24)20(18-9-4-10-29-18)21-16(26-22)7-3-8-17(21)27/h1-2,4-6,9-10,20,26H,3,7-8,12H2,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 51516211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).