(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide

C22H23FN2O3S — CID 178071761

IUPAC(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)c3c(oc12)-c1cccnc1CC3
InChIInChI=1S/C22H23FN2O3S/c1-12(25-29(27)22(2,3)4)16-10-13(23)11-17-19(26)15-7-8-18-14(6-5-9-24-18)20(15)28-21(16)17/h5-6,9-12,25H,7-8H2,1-4H3/t12-,29-/m1/s1
InChIKeyGBVMYIOVEFLDAA-XETJZTBLSA-N
MW414.50 g/mol
LogP4.21
Rot. Bonds3

About (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 178071761) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID178071761
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)c3c(oc12)-c1cccnc1CC3
InChIInChI=1S/C22H23FN2O3S/c1-12(25-29(27)22(2,3)4)16-10-13(23)11-17-19(26)15-7-8-18-14(6-5-9-24-18)20(15)28-21(16)17/h5-6,9-12,25H,7-8H2,1-4H3/t12-,29-/m1/s1
InChIKeyGBVMYIOVEFLDAA-XETJZTBLSA-N
XLogP4.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178071801
(R)-N-[(1R)-1-(10-fluoro-8-oxo-3-propan-2-yloxy-5,6-dihydro-1,6-naphthyridino[5,6-b]quinazolin-12-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178071808
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
(R)-N-[(1R)-1-(3-cyano-10-fluoro-8-oxo-5,6-dihydro-1,6-naphthyridino[5,6-b]quinazolin-12-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178071774
(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 127262603
(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 177315231
N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 166035095
(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 166558824
15-(4-tert-butylnaphthalen-2-yl)-17-oxa-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581179
(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753107
3-[1-[2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-3-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 166035084
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 178071761) is (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)c3c(oc12)-c1cccnc1CC3.
What is the InChIKey of (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GBVMYIOVEFLDAA-XETJZTBLSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-12(25-29(27)22(2,3)4)16-10-13(23)11-17-19(26)15-7-8-18-14(6-5-9-24-18)20(15)28-21(16)17/h5-6,9-12,25H,7-8H2,1-4H3/t12-,29-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 414.50 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178071761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).