(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide

C21H23FN2O2S — CID 140786719

IUPAC(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
SMILESCC(CC(C)(C)[S@@](N)=O)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1
InChIInChI=1S/C21H23FN2O2S/c1-14(12-21(2,3)27(23)26)18-11-17-10-9-16(22)13-24(17)20(25)19(18)15-7-5-4-6-8-15/h4-11,13-14H,12,23H2,1-3H3/t14?,27-/m0/s1
InChIKeyJXQSCAICNRJRMV-SYESMYBYSA-N
MW386.49 g/mol
LogP4.00
Rot. Bonds5

About (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide

(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide (PubChem CID 140786719) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
PubChem CID140786719
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide
SMILESCC(CC(C)(C)[S@@](N)=O)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1
InChIInChI=1S/C21H23FN2O2S/c1-14(12-21(2,3)27(23)26)18-11-17-10-9-16(22)13-24(17)20(25)19(18)15-7-5-4-6-8-15/h4-11,13-14H,12,23H2,1-3H3/t14?,27-/m0/s1
InChIKeyJXQSCAICNRJRMV-SYESMYBYSA-N
XLogP4.00
TPSA64.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-7-fluoro-3-phenylquinolizin-4-one
CID 129262475
2-[1-[4-amino-5-(3-fluoro-5-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]-7-fluoro-3-phenylquinolizin-4-one
CID 118630945
2-[(1S)-1-aminoethyl]-7-fluoro-1-(4-fluorophenyl)-3-phenylquinolizin-4-one
CID 129262395
2-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl carbamate
CID 129248923
2-[(1R)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]propyl]-7-fluoro-3-phenylquinolizin-4-one
CID 140786700
(4S)-4-[5-(difluoromethyl)-2-fluorophenyl]-2-methylpentane-2-sulfinamide
CID 140876931
2-[1-[4-amino-3-(6-oxo-1H-pyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-fluoro-3-phenylquinolizin-4-one
CID 136959659
2-[(1S)-1-aminoethyl]-7-fluoro-1-methyl-3-phenylquinolizin-4-one
CID 129262508
2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one
CID 118627701
N-[3-[4-amino-1-[1-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenyl]methanesulfonamide
CID 118627660
4-amino-6-[1-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627726
1-(4-oxo-3-phenylquinolizin-2-yl)ethyl methanesulfonate
CID 134229057

Frequently Asked Questions

What is the IUPAC name of (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide?
The IUPAC name of (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide (CID 140786719) is (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide?
The canonical SMILES for (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide is CC(CC(C)(C)[S@@](N)=O)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1.
What is the InChIKey of (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide?
The InChIKey is JXQSCAICNRJRMV-SYESMYBYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-14(12-21(2,3)27(23)26)18-11-17-10-9-16(22)13-24(17)20(25)19(18)15-7-5-4-6-8-15/h4-11,13-14H,12,23H2,1-3H3/t14?,27-/m0/s1.
What are the key properties of (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide?
(S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide has a molecular weight of 386.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-4-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 140786719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).