7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

C26H23FN2O2S — CID 53324128

IUPAC7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(S(C)=O)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C26H23FN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
InChIKeyODKOWENRVMPUNY-GIFGLUKTSA-N
MW446.55 g/mol
LogP5.66
Rot. Bonds6

About 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (PubChem CID 53324128) has the molecular formula C26H23FN2O2S and a molecular weight of 446.55 g/mol. Its IUPAC name is 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID53324128
Molecular FormulaC26H23FN2O2S
Molecular Weight446.55 g/mol
Exact Mass446.15
IUPAC Name7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(S(C)=O)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C26H23FN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
InChIKeyODKOWENRVMPUNY-GIFGLUKTSA-N
XLogP5.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23649245
SB 222200
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Gsk 172981
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CID 21865627
3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
CID 44266459
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767252
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (CID 53324128) is 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is CC[C@H](NC(=O)c1c(S(C)=O)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1.
What is the InChIKey of 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The InChIKey is ODKOWENRVMPUNY-GIFGLUKTSA-N. The full InChI is InChI=1S/C26H23FN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1.
What are the key properties of 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 53324128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).