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

C22H21FN2O3S — CID 178071801

IUPAC(NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)c3c(oc12)-c1cccnc1CC3
InChIInChI=1S/C22H21FN2O3S/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/h5-6,9-11H,7-8H2,1-4H3/b25-12-/t29-/m1/s1
InChIKeyTXFLDZRDEGDEBK-QLUCSJPWSA-N
MW412.49 g/mol
LogP4.36
Rot. Bonds2

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

(NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 178071801) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID178071801
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name(NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)c3c(oc12)-c1cccnc1CC3
InChIInChI=1S/C22H21FN2O3S/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/h5-6,9-11H,7-8H2,1-4H3/b25-12-/t29-/m1/s1
InChIKeyTXFLDZRDEGDEBK-QLUCSJPWSA-N
XLogP4.36
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 178071801) is (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N/[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)c3c(oc12)-c1cccnc1CC3.
What is the InChIKey of (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is TXFLDZRDEGDEBK-QLUCSJPWSA-N. The full InChI is InChI=1S/C22H21FN2O3S/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/h5-6,9-11H,7-8H2,1-4H3/b25-12-/t29-/m1/s1.
What are the key properties of (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 412.49 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178071801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).